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mulquiney2

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vRBCvAK

adpRBC + mgadpRBC = ampRBC + mgatpRBC

vRBCvALD

f16p2RBC = dhapRBC + gapRBC

vRBCvATPASE

mgatpRBC = phosRBC + mgadpRBC

vRBCvBPGSP1

bpgspRBC + b13pgRBC = bpgspb13pgRBC

vRBCvBPGSP2

bpgspb13pgRBC = p3gRBC + bpgsppRBC

vRBCvBPGSP3

p3gRBC + bpgsppRBC = bpgsppp3gRBC

vRBCvBPGSP4

p2gRBC + bpgsppRBC = bpgsppp2gRBC

vRBCvBPGSP5

bpgsppp3gRBC = bpgspb23pgRBC

vRBCvBPGSP6

bpgsppp2gRBC = bpgspb23pgRBC

vRBCvBPGSP7

bpgspb23pgRBC = b23pgRBC + bpgspRBC

vRBCvBPGSP8

phosRBC + bpgsppRBC = bpgsppphosRBC

vRBCvBPGSP9

bpgsppphosRBC = {2.0}phosRBC + bpgspRBC

vRBCvENO

p2gRBC = pepRBC

vRBCvG6PDH

nadpRBC + g6pRBC = p6glRBC + nadphRBC

vRBCvGAPDH

nadRBC + phosRBC + gapRBC = b13pgRBC + nadhRBC

vRBCvGLCTRANSPORT

glcEXT = glcRBC

vRBCvGSSGR

gssgRBC + nadphRBC = nadpRBC + {2.0}gshRBC

vRBCvHBADP

adpRBC + hbRBC = hbadpRBC

vRBCvHBATP

atpRBC + hbRBC = hbatpRBC

vRBCvHBB13PG

b13pgRBC + hbRBC = hbb13pgRBC

vRBCvHBB23PG

hbRBC + b23pgRBC = hbb23pgRBC

vRBCvHBMGATP

hbRBC + mgatpRBC = hbmgatpRBC

vRBCvHK

glcRBC + mgatpRBC = mgadpRBC + g6pRBC

vRBCvLACTRANSPORT

lacRBC = lacEXT

vRBCvLDH

pyrRBC + nadhRBC = nadRBC + lacRBC

vRBCvLDHP

pyrRBC + nadphRBC = nadpRBC + lacRBC

vRBCvMGADP

adpRBC + mgRBC = mgadpRBC

vRBCvMGATP

atpRBC + mgRBC = mgatpRBC

vRBCvMGB13PG

b13pgRBC + mgRBC = mgb13pgRBC

vRBCvMGB23PG

b23pgRBC + mgRBC = mgb23pgRBC

vRBCvMGF16P2

f16p2RBC + mgRBC = mgf16p2RBC

vRBCvMGG16P2

g16p2RBC + mgRBC = mgg16p2RBC

vRBCvMGPHOS

phosRBC + mgRBC = mgphosRBC

vRBCvOX

{2.0}gshRBC = gssgRBC

vRBCvOXNADH

nadhRBC = nadRBC

vRBCvP6GDH

nadpRBC + p6gRBC = ru5pRBC + co2RBC + nadphRBC

vRBCvPFK

f6pRBC + mgatpRBC = mgadpRBC + f16p2RBC

vRBCvPGI

g6pRBC = f6pRBC

vRBCvPGK

mgadpRBC + b13pgRBC = p3gRBC + mgatpRBC

vRBCvPGLHYDROLYSIS

p6glRBC = p6gRBC

vRBCvPGM

p3gRBC = p2gRBC

vRBCvPHOSTRANSPORT

phosRBC = phosEXT

vRBCvPK

mgadpRBC + pepRBC = mgatpRBC + pyrRBC

vRBCvPYRTRANSPORT

pyrRBC = pyrEXT

vRBCvR5PI

ru5pRBC = rib5pRBC

vRBCvRu5PE

ru5pRBC = xu5pRBC

vRBCvTA

gapRBC + sed7pRBC = f6pRBC + ery4pRBC

vRBCvTIM

gapRBC = dhapRBC

vRBCvTK1

tkRBC + xu5pRBC = tkxu5pRBC

vRBCvTK2

tkxu5pRBC = gapRBC + tkgRBC

vRBCvTK3

rib5pRBC + tkgRBC = tkgrib5pRBC

vRBCvTK4

tkgrib5pRBC = sed7pRBC + tkRBC

vRBCvTK5

ery4pRBC + tkgRBC = tkgery4pRBC

vRBCvTK6

tkgery4pRBC = f6pRBC + tkRBC

Parameters

Global parameters

AlphaCellWaterFraction*

CRBCvMGADP*

CRBCvMGATP*

CRBCvMGB13PG*

CRBCvMGB23PG*

CRBCvMGF16P2*

CRBCvMGG16P2*

CRBCvMGPHOS*

ConcADPRBC*

ConcAMPRBC*

ConcATPRBC*

ConcB13PGRBC*

ConcB23PGRBC*

ConcBPGSPB13PGRBC*

ConcBPGSPB23PGRBC*

ConcBPGSPPP2GRBC*

ConcBPGSPPP3GRBC*

ConcBPGSPPRBC*

ConcBPGSPRBC*

ConcBpgsppphosRBC*

ConcCo2RBC*

ConcDhapRBC*

ConcEry4PRBC*

ConcF16P2RBC*

ConcF6PRBC*

ConcG16P2RBC*

ConcG6PRBC*

ConcGSHRBC*

ConcGapRBC*

ConcGlcEXT*

ConcGlcRBC*

ConcGssgRBC*

ConcHbADPRBC*

ConcHbATPRBC*

ConcHbB13PGRBC*

ConcHbB23PGRBC*

ConcHbRBC*

ConcHbmgatpRBC*

ConcLacEXT*

ConcLacRBC*

ConcMgADPRBC*

ConcMgB13PGRBC*

ConcMgB23PGRBC*

ConcMgF16P2RBC*

ConcMgRBC*

ConcMgatpRBC*

ConcMgg16p2RBC*

ConcMgphosRBC*

ConcNADPRBC*

ConcNADRBC*

ConcNadhRBC*

ConcNadphRBC*

ConcP2GARBC*

ConcP3GARBC*

ConcP6GLRBC*

ConcP6GRBC*

ConcPEPRBC*

ConcPhosEXT*

ConcPhosRBC*

ConcPyrEXT*

ConcPyrRBC*

ConcRib5PRBC*

ConcRu5PRBC*

ConcSed7PRBC*

ConcTKGEry4PRBC*

ConcTKGRBC*

ConcTKGRib5PRBC*

ConcTKRBC*

ConcTkxu5pRBC*

ConcXu5PRBC*

ERBCvHK*

ERBCvPGI*

K10RBCvBPGSP6*

K10RBCvG6PDH*

K10RBCvGSSGR*

K10RBCvP6GDH*

K10RBCvTK5*

K11RBCvBPGSP6*

K11RBCvGSSGR*

K11RBCvP6GDH*

K11RBCvTK6*

K12RBCvBPGSP7*

K12RBCvGSSGR*

K12RBCvP6GDH*

K12RBCvTK6*

K13RBCvBPGSP7*

K14RBCvBPGSP8*

K15RBCvBPGSP8*

K16RBCvBPGSP9*

K1RBCvAK*

K1RBCvBPGSP1*

K1RBCvG6PDH*

K1RBCvGSSGR*

K1RBCvP6GDH*

K1RBCvR5PI*

K1RBCvRu5PE*

K1RBCvTA*

K1RBCvTK1*

K2RBCvAK*

K2RBCvBPGSP1*

K2RBCvG6PDH*

K2RBCvGSSGR*

K2RBCvP6GDH*

K2RBCvR5PI*

K2RBCvRu5PE*

K2RBCvTA*

K2RBCvTK1*

K3RBCvBPGSP2*

K3RBCvG6PDH*

K3RBCvGSSGR*

K3RBCvP6GDH*

K3RBCvR5PI*

K3RBCvRu5PE*

K3RBCvTA*

K3RBCvTK2*

K4RBCvBPGSP3*

K4RBCvG6PDH*

K4RBCvGSSGR*

K4RBCvP6GDH*

K4RBCvR5PI*

K4RBCvRu5PE*

K4RBCvTA*

K4RBCvTK2*

K5RBCvBPGSP3*

K5RBCvG6PDH*

K5RBCvGSSGR*

K5RBCvP6GDH*

K5RBCvTA*

K5RBCvTK3*

K6RBCvBPGSP4*

K6RBCvG6PDH*

K6RBCvGSSGR*

K6RBCvP6GDH*

K6RBCvTA*

K6RBCvTK3*

K7RBCvBPGSP4*

K7RBCvG6PDH*

K7RBCvGSSGR*

K7RBCvP6GDH*

K7RBCvTA*

K7RBCvTK4*

K8RBCvBPGSP5*

K8RBCvG6PDH*

K8RBCvGSSGR*

K8RBCvP6GDH*

K8RBCvTA*

K8RBCvTK4*

K9RBCvBPGSP5*

K9RBCvG6PDH*

K9RBCvGSSGR*

K9RBCvP6GDH*

K9RBCvTK5*

KRBCvATPASE*

KRBCvMGADP*

KRBCvMGATP*

KRBCvMGB13PG*

KRBCvMGB23PG*

KRBCvMGF16P2*

KRBCvMGG16P2*

KRBCvOX*

KRBCvOXNADH*

KaRBCvHBADP*

KaRBCvHBATP*

KaRBCvHBB13PG*

KaRBCvHBBPG*

KaRBCvHBMGATP*

KaRBCvMGADP*

KaRBCvMGATP*

KaRBCvMGB13PG*

KaRBCvMGB23PG*

KaRBCvMGF16P2*

KaRBCvMGG16P2*

KaRBCvMGPHOS*

KaRBCvPFK*

KahbRBC*

KcatfRBCvALD*

KcatfRBCvENO*

KcatfRBCvGAPDH*

KcatfRBCvHK*

KcatfRBCvLDH*

KcatfRBCvPFK*

KcatfRBCvPGI*

KcatfRBCvPGK*

KcatfRBCvPGM*

KcatfRBCvPK*

KcatfRBCvTIM*

KcatrRBCvALD*

KcatrRBCvENO*

KcatrRBCvGAPDH*

KcatrRBCvHK*

KcatrRBCvLDH*

KcatrRBCvPFK*

KcatrRBCvPGI*

KcatrRBCvPGK*

KcatrRBCvPGM*

KcatrRBCvPK*

KcatrRBCvTIM*

KdRBCvHBADP*

KdRBCvHBATP*

KdRBCvHBB13PG*

KdRBCvHBBPG*

KdRBCvHBMGATP*

KdRBCvMGADP*

KdRBCvMGATP*

KdRBCvMGB13PG*

KdRBCvMGB23PG*

KdRBCvMGF16P2*

KdRBCvMGG16P2*

KdRBCvMGPHOS*

KdibpgRBCvHK*

Kdig16p2RBCvHK*

Kdig6pRBCvHK*

KdigshRBCvHK*

KfRBCvLDHP*

Kh2bpgRBCvMGB13PG*

Kh2bpgRBCvMGB23PG*

Kh2fRBCvMGF16P2*

Kh2fRBCvMGG16P2*

KhadpRBCvAK*

KhadpRBCvMGADP*

KhampRBCvAK*

KhatpRBCvMGATP*

KhbpgRBCvMGB13PG*

KhbpgRBCvMGB23PG*

KhfRBCvMGF16P2*

KhfRBCvMGG16P2*

KhphosRBCvMGPHOS*

KhydrolRBCvPGLHYDROLYSIS*

KiRBCvLACTRANSPORT*

KiRBCvPHOSTRANSPORT*

KiRBCvPYRTRANSPORT*

Kib13pgRBCvGAPDH*

Kib13pgRBCvPGK*

Kib23pgRBCvALD*

Kidb13pgRBCvGAPDH*

KidgapRBCvGAPDH*

KidhapRBCvALD*

KidpyrRBCvLDH*

Kif16p2RBCvALD*

Kig6pRBCvHK*

KigapRBCvGAPDH*

KiglcRBCvHK*

KilacRBCvLDH*

KimgRBCvENO*

KimgadpRBCvHK*

KimgadpRBCvPGK*

KimgatpRBCvHK*

KimgatpRBCvPGK*

KinadRBCvGAPDH*

KinadRBCvLDH*

KinadhRBCvGAPDH*

KinadhRBCvLDH*

Kip2gRBCvENO*

Kip3gRBCvPGK*

KipepRBCvENO*

KiphosRBCvGAPDH*

KipyrRBCvLDH*

KkadpRBCvAK*

KkadpRBCvMGADP*

KkampRBCvAK*

KkatpRBCvMGATP*

KkbpgRBCvMGB13PG*

KkbpgRBCvMGB23PG*

KkfRBCvMGF16P2*

KkfRBCvMGG16P2*

KkhbpgRBCvMGB13PG*

KkhbpgRBCvMGB23PG*

KkhfRBCvMGF16P2*

KkhfRBCvMGG16P2*

KkphosRBCvMGPHOS*

Klactonase1RBCvPGLHYDROLYSIS*

Klactonase2RBCvPGLHYDROLYSIS*

Klactonase3RBCvPGLHYDROLYSIS*

Kmb13pgRBCvGAPDH*

Kmb13pgRBCvPGK*

KmdhapRBCvALD*

KmdhapRBCvTIM*

Kmf16p2RBCvALD*

Kmf16p2RBCvPFK*

Kmf6pRBCvPFK*

Kmf6pRBCvPGI*

Kmg6pRBCvPGI*

KmgapRBCvALD*

KmgapRBCvGAPDH*

KmgapRBCvTIM*

KmghadpRBCvMGADP*

KmghatpRBCvMGATP*

KmghbpgRBCvMGB13PG*

KmghbpgRBCvMGB23PG*

KmghfRBCvMGF16P2*

KmghfRBCvMGG16P2*

KmlacRBCvLDH*

KmlacRBCvLDHP*

KmmgRBCvENO*

KmmgadpRBCvHK*

KmmgadpRBCvPFK*

KmmgadpRBCvPGK*

KmmgatpRBCvHK*

KmmgatpRBCvPFK*

KmmgatpRBCvPGK*

KmnadRBCvGAPDH*

KmnadRBCvLDH*

KmnadhRBCvGAPDH*

KmnadhRBCvLDH*

Kmp2gRBCvENO*

Kmp2gRBCvPGM*

Kmp3gRBCvPGK*

Kmp3gRBCvPGM*

KmpepRBCvENO*

KmphosRBCvGAPDH*

KmpyrRBCvLDH*

KmpyrRBCvLDHP*

KrRBCvLDHP*

KrampRBCvPFK*

Krf16p2RBCvPK*

Krg16p2RBCvPFK*

Krg16p2RBCvPK*

KrmgadpRBCvPK*

KrmgatpRBCvPK*

KrpepRBCvPK*

KrphosRBCvPFK*

KrpyrRBCvPK*

KtatpRBCvPFK*

KtatpRBCvPK*

Ktb23pgRBCvPFK*

KtmgRBCvPFK*

RtvRBC*

TsRBC*

VRBCvALD*

VRBCvENO*

VRBCvG6PDH*

VRBCvGAPDH*

VRBCvGLCTRANSPORT*

VRBCvGSSGR*

VRBCvLDH*

VRBCvP6GDH*

VRBCvPFK*

VRBCvPGK*

VRBCvPGLHYDROLYSIS*

VRBCvPGM*

VRBCvPK*

VRBCvR5PI*

VRBCvRu5PE*

VRBCvTA*

VRBCvTIM*

bpgxRBC*

glcAlpha*

gssgxRBC*

hbxRBC*

kAlpha*

kBeta*

kRBC*

nRBCvPFK*

nadpxRBC*

pHConversionFactor*

phRBC*

tkxRBC*

xatpRBC*

xg16p2RBC*

xphosRBC*

Vrbc*

vBld*

Initial values

adpRBC

ampRBC

atpRBC

b13pgRBC

b23pgRBC

bpgspRBC

bpgspb13pgRBC

bpgspb23pgRBC

bpgsppRBC

bpgsppp2gRBC

bpgsppp3gRBC

bpgsppphosRBC

dhapRBC

ery4pRBC

f16p2RBC

f6pRBC

g16p2RBC

g6pRBC

gapRBC

glcRBC

gshRBC

gssgRBC

hbRBC

hbadpRBC

hbatpRBC

hbb13pgRBC

hbb23pgRBC

hbmgatpRBC

lacRBC

mgRBC

mgadpRBC

mgatpRBC

mgb13pgRBC

mgb23pgRBC

mgf16p2RBC

mgg16p2RBC

mgphosRBC

nadRBC

nadhRBC

nadpRBC

nadphRBC

p2gRBC

p3gRBC

p6gRBC

p6glRBC

pepRBC

phosRBC

pyrRBC

rib5pRBC

ru5pRBC

sed7pRBC

tkRBC

tkgRBC

tkgery4pRBC

tkgrib5pRBC

tkxu5pRBC

xu5pRBC

Functions and Rules

Assignment rules

pyrEXT = ConcPyrEXT * vBld

KcatrappRBCvHK = KcatrRBCvHK / (1.0 + pow(10.0, -phRBC) / pow(10.0, -7.02) + pow(10.0, -9.55) / pow(10.0, -phRBC))

KmapppyrRBCvLDH = KmpyrRBCvLDH * ((1.0 + pow(10.0, -6.8) / pow(10.0, -phRBC)) / (1.0 + pow(10.0, -6.8) / pow(10.0, -7.2)))

KmappnadhRBCvGAPDH = KmnadhRBCvGAPDH * (pow(10.0, -7.2) / pow(10.0, -phRBC))

KeqRBCvLACTRANSPORT = (1.0 + pow(10.0, phRBC - 3.73)) / (1.0 + pow(10.0, phRBC - 3.73) / RtvRBC)

KcatrappRBCvGAPDH = KcatrRBCvGAPDH / (1.0 + pow(10.0, -phRBC) / pow(10.0, -7.5) + pow(10.0, -10.0) / pow(10.0, -phRBC))

co2RBC = ConcCo2RBC * Vrbc

KiapppyrRBCvLDH = KipyrRBCvLDH * ((1.0 + pow(10.0, -6.8) / pow(10.0, -phRBC)) / (1.0 + pow(10.0, -6.8) / pow(10.0, -7.2)))

KoRBCvPHOSTRANSPORT = KiRBCvPHOSTRANSPORT / KeqRBCvPHOSTRANSPORT

KaappRBCvHBMGATP = KaRBCvHBMGATP * HbpHRBC

K2appRBCvAK = K2RBCvAK * (1.0 + hRBC * KhampRBCvAK + kRBC * KkampRBCvAK)

KiappnadhRBCvGAPDH = KinadhRBCvGAPDH * (pow(10.0, -7.2) / pow(10.0, -phRBC))

KaappRBCvHBBPG = KaRBCvHBBPG * HbpHRBC

K6appRBCvBPGSP4 = K6RBCvBPGSP4 * ((1.0 + pow(pow(10.0, -7.2) / pow(10.0, -7.17), 4.0)) / (1.0 + pow(pow(10.0, -phRBC) / pow(10.0, -7.17), 4.0)))

KaappRBCvMGG16P2 = KaRBCvMGG16P2 * CRBCvMGG16P2 * (KRBCvMGG16P2 + KhfRBCvMGG16P2 * KmghfRBCvMGG16P2 * hRBC) / (1.0 + KhfRBCvMGG16P2 * hRBC + Kh2fRBCvMGG16P2 * KhfRBCvMGG16P2 * hRBC * hRBC + kRBC * KkfRBCvMGG16P2 + kRBC * KhfRBCvMGG16P2 * KkhfRBCvMGG16P2 * hRBC)

KaappRBCvMGATP = KaRBCvMGATP * CRBCvMGATP * ((KRBCvMGATP + KhatpRBCvMGATP * KmghatpRBCvMGATP * hRBC) / (1.0 + KhatpRBCvMGATP / pHConversionFactor / pow(10.0, phRBC) + kRBC * KkatpRBCvMGATP))

K13appRBCvBPGSP7 = K13RBCvBPGSP7 * ((1.0 + pow(pow(10.0, -7.2) / pow(10.0, -7.17), 4.0)) / (1.0 + pow(pow(10.0, -phRBC) / pow(10.0, -7.17), 4.0)))

KiappgapRBCvGAPDH = KigapRBCvGAPDH / (1.0 + pow(10.0, -phRBC) / pow(10.0, -7.5) + pow(10.0, -10.0) / pow(10.0, -phRBC))

lacEXT = ConcLacEXT * vBld

phosEXT = ConcPhosEXT * vBld

KoRBCvLACTRANSPORT = KiRBCvLACTRANSPORT / KeqRBCvLACTRANSPORT

KaappRBCvHBADP = KaRBCvHBADP * HbpHRBC

KaappRBCvHBATP = KaRBCvHBATP * HbpHRBC

hRBC = pHConversionFactor / pow(10.0, phRBC)

KoRBCvPYRTRANSPORT = KiRBCvPYRTRANSPORT / RtvRBC

K4appRBCvBPGSP3 = K4RBCvBPGSP3 * ((1.0 + pow(pow(10.0, -7.2) / pow(10.0, -7.17), 4.0)) / (1.0 + pow(pow(10.0, -phRBC) / pow(10.0, -7.17), 4.0)))

KiapplacRBCvLDH = KilacRBCvLDH * ((1.0 + pow(10.0, -phRBC) / pow(10.0, -6.8)) / (1.0 + pow(10.0, -7.2) / pow(10.0, -6.8)))

KaappRBCvHBB13PG = KaRBCvHBB13PG * HbpHRBC

KeqRBCvPHOSTRANSPORT = (1.0 + pow(10.0, phRBC - 6.75)) / (1.0 / RtvRBC + pow(10.0, phRBC - 6.75) / (RtvRBC * RtvRBC))

testsum = adpRBC + atpRBC + ampRBC + mgRBC + mgadpRBC + mgatpRBC + mgb13pgRBC + mgb23pgRBC + mgf16p2RBC + mgg16p2RBC + mgphosRBC

Kiappb13pgRBCvGAPDH = Kib13pgRBCvGAPDH / (1.0 + pow(10.0, -phRBC) / pow(10.0, -7.5) + pow(10.0, -10.0) / pow(10.0, -phRBC))

LRBCvPK = pHConversionFactor * pow(10.0, -6.8) / hRBC * pow(1.0 + atpRBC / Vrbc / KtatpRBCvPK, 4.0) / (pow(1.0 + f16p2RBC / Vrbc / Krf16p2RBCvPK + g16p2RBC / Vrbc / Krg16p2RBCvPK, 4.0) * pow(1.0 + pepRBC / Vrbc / KrpepRBCvPK + pyrRBC / Vrbc / KrpyrRBCvPK, 4.0))

KaappRBCvMGPHOS = KaRBCvMGPHOS * (1.0 + pHConversionFactor * pow(10.0, -7.2) * KhphosRBCvMGPHOS + kRBC * KkphosRBCvMGPHOS) / (1.0 + hRBC * KhphosRBCvMGPHOS + kRBC * KkphosRBCvMGPHOS)

KaappRBCvMGADP = KaRBCvMGADP * CRBCvMGADP * ((KRBCvMGADP + KhadpRBCvMGADP * KmghadpRBCvMGADP * hRBC) / (1.0 + KhadpRBCvMGADP * hRBC + kRBC * KkadpRBCvMGADP))

KmapplacRBCvLDH = KmlacRBCvLDH * ((1.0 + pow(10.0, -phRBC) / pow(10.0, -6.8)) / (1.0 + pow(10.0, -7.2) / pow(10.0, -6.8)))

KcatfappRBCvHK = KcatfRBCvHK / (1.0 + pow(10.0, -phRBC) / pow(10.0, -7.02) + pow(10.0, -9.55) / pow(10.0, -phRBC))

KcatfappRBCvGAPDH = KcatfRBCvGAPDH / (1.0 + pow(10.0, -phRBC) / pow(10.0, -7.5) + pow(10.0, -10.0) / pow(10.0, -phRBC))

atpRBCsum = atpRBC + adpRBC + ampRBC

K3appRBCvBPGSP2 = K3RBCvBPGSP2 * ((1.0 + pow(pow(10.0, -7.2) / pow(10.0, -7.17), 4.0)) / (1.0 + pow(pow(10.0, -phRBC) / pow(10.0, -7.17), 4.0)))

K1appRBCvBPGSP1 = K1RBCvBPGSP1 * ((1.0 + pow(10.0, -6.8) / pow(10.0, -7.2)) / (1.0 + pow(10.0, -6.8) / pow(10.0, -phRBC)))

KaappRBCvMGF16P2 = KaRBCvMGF16P2 * CRBCvMGF16P2 * (KRBCvMGF16P2 + KhfRBCvMGF16P2 * KmghfRBCvMGF16P2 * hRBC) / (1.0 + KhfRBCvMGF16P2 * hRBC + Kh2fRBCvMGF16P2 * KhfRBCvMGF16P2 * hRBC * hRBC + kRBC * KkfRBCvMGF16P2 + kRBC * KhfRBCvMGF16P2 * KkhfRBCvMGF16P2 * hRBC)

K1appRBCvAK = K1RBCvAK * (1.0 + pHConversionFactor * pow(10.0, -phRBC) * KhadpRBCvAK + kRBC * KkadpRBCvAK)

KaappRBCvMGB13PG = KaRBCvMGB13PG * CRBCvMGB13PG * (KRBCvMGB13PG + KhbpgRBCvMGB13PG * KmghbpgRBCvMGB13PG * hRBC) / (1.0 + KhbpgRBCvMGB13PG * hRBC + Kh2bpgRBCvMGB13PG * KhbpgRBCvMGB13PG * hRBC * hRBC + kRBC * KkbpgRBCvMGB13PG + kRBC * KhbpgRBCvMGB13PG * KkhbpgRBCvMGB13PG * hRBC)

HbpHRBC = (1.0 + 2.0 * KahbRBC / (pHConversionFactor * pow(10.0, -7.2)) + pow(KahbRBC / (pHConversionFactor * pow(10.0, -7.2)), 2.0)) / (1.0 + 2.0 * KahbRBC / hRBC + KahbRBC / hRBC * KahbRBC / hRBC)

glcEXT = ConcGlcEXT*vBld

KaappRBCvMGB23PG = KaRBCvMGB23PG * CRBCvMGB23PG * (KRBCvMGB23PG + KhbpgRBCvMGB23PG * KmghbpgRBCvMGB23PG * hRBC) / (1.0 + KhbpgRBCvMGB23PG * hRBC + Kh2bpgRBCvMGB23PG * KhbpgRBCvMGB23PG * hRBC * hRBC + kRBC * KkbpgRBCvMGB23PG + kRBC * KhbpgRBCvMGB23PG * KkhbpgRBCvMGB23PG * hRBC)

Function definitions

Events

Constraints

Note that constraints are not enforced in simulations. It remains the responsibility of the user to verify that simulation results satisfy these constraints.

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Model of 2,3-bisphosphoglycerate metabolism in the human erythrocyte based on detailed enzyme kinetic equations: equations and parameter refinement.

PJ Mulquiney
Philip W Kuchel

Biochem. J. 1999; : 581-596

PubMed: 10477269
PubMed Central: PMC1220499
ISSN: 0264-6021
URL: https://ncbi.nlm.nih.gov/pubmed/10477269

Abstract

Over the last 25 years, several mathematical models of erythrocyte metabolism have been developed. Although these models have identified the key features in the regulation and control of erythrocyte metabolism, many important aspects remain unexplained. In particular, none of these models have satisfactorily accounted for 2,3-bisphosphoglycerate (2,3-BPG) metabolism. 2,3-BPG is an important modulator of haemoglobin oxygen affinity, and hence an understanding of the regulation of 2,3-BPG concentration is important for understanding blood oxygen transport. A detailed, comprehensive, and hence realistic mathematical model of erythrocyte metabolism is presented that can explain the regulation and control of 2,3-BPG concentration and turnover. The model is restricted to the core metabolic pathways, namely glycolysis, the 2,3-BPG shunt and the pentose phosphate pathway (PPP), and includes membrane transport of metabolites, the binding of metabolites to haemoglobin and Mg(2+), as well as pH effects on key enzymic reactions and binding processes. The model is necessarily complex, since it is intended to describe the regulation and control of 2,3-BPG metabolism under a wide variety of physiological and experimental conditions. In addition, since H(+) and blood oxygen tension are important external effectors of 2,3-BPG concentration, it was important that the model take into account the large array of kinetic and binding phenomena that result from changes in these effectors. Through an iterative loop of experimental and simulation analysis many values of enzyme-kinetic parameters of the model were refined to yield close conformity between model simulations and 'real' experimental data. This iterative process enabled a single set of parameters to be found which described well the metabolic behaviour of the erythrocyte under a wide variety of conditions.

A copy of the original mulquiney model but in units of fmol/min and a glucose transporter added from Philip W. Potts, Jennifer R., Kuchel. Anomeric preference of fluoroglucose exchange across human red-cell membranes. 19F-nmr studies. Biochemical Journal, 281(3):753–759, 1992.

JWS Online documentation

adpRBC (adpRBC)
ampRBC (ampRBC)
atpRBC (atpRBC)
b13pgRBC (b13pgRBC)
b23pgRBC (b23pgRBC)
bpgspRBC (bpgspRBC)
bpgspb13pgRBC (bpgspb13pgRBC)
bpgspb23pgRBC (bpgspb23pgRBC)
bpgsppRBC (bpgsppRBC)
bpgsppp2gRBC (bpgsppp2gRBC)
bpgsppp3gRBC (bpgsppp3gRBC)
bpgsppphosRBC (bpgsppphosRBC)
dhapRBC (dhapRBC)
ery4pRBC (ery4pRBC)
f16p2RBC (f16p2RBC)
f6pRBC (f6pRBC)
g16p2RBC (g16p2RBC)
g6pRBC (g6pRBC)
gapRBC (gapRBC)
glcRBC (glcRBC)
gshRBC (gshRBC)
gssgRBC (gssgRBC)
hbRBC (hbRBC)
hbadpRBC (hbadpRBC)
hbatpRBC (hbatpRBC)
hbb13pgRBC (hbb13pgRBC)
hbb23pgRBC (hbb23pgRBC)
hbmgatpRBC (hbmgatpRBC)
lacRBC (lacRBC)
mgRBC (mgRBC)
mgadpRBC (mgadpRBC)
mgatpRBC (mgatpRBC)
mgb13pgRBC (mgb13pgRBC)
mgb23pgRBC (mgb23pgRBC)
mgf16p2RBC (mgf16p2RBC)
mgg16p2RBC (mgg16p2RBC)
mgphosRBC (mgphosRBC)
nadRBC (nadRBC)
nadhRBC (nadhRBC)
nadpRBC (nadpRBC)
nadphRBC (nadphRBC)
p2gRBC (p2gRBC)
p3gRBC (p3gRBC)
p6gRBC (p6gRBC)
p6glRBC (p6glRBC)
pepRBC (pepRBC)
phosRBC (phosRBC)
pyrRBC (pyrRBC)
rib5pRBC (rib5pRBC)
ru5pRBC (ru5pRBC)
sed7pRBC (sed7pRBC)
tkRBC (tkRBC)
tkgRBC (tkgRBC)
tkgery4pRBC (tkgery4pRBC)
tkgrib5pRBC (tkgrib5pRBC)
tkxu5pRBC (tkxu5pRBC)
xu5pRBC (xu5pRBC)

vRBCvAK (vRBCvAK)
vRBCvALD (vRBCvALD)
vRBCvATPASE (vRBCvATPASE)
vRBCvBPGSP1 (vRBCvBPGSP1)
vRBCvBPGSP2 (vRBCvBPGSP2)
vRBCvBPGSP3 (vRBCvBPGSP3)
vRBCvBPGSP4 (vRBCvBPGSP4)
vRBCvBPGSP5 (vRBCvBPGSP5)
vRBCvBPGSP6 (vRBCvBPGSP6)
vRBCvBPGSP7 (vRBCvBPGSP7)
vRBCvBPGSP8 (vRBCvBPGSP8)
vRBCvBPGSP9 (vRBCvBPGSP9)
vRBCvENO (vRBCvENO)
vRBCvG6PDH (vRBCvG6PDH)
vRBCvGAPDH (vRBCvGAPDH)
vRBCvGLCTRANSPORT (vRBCvGLCTRANSPORT)
vRBCvGSSGR (vRBCvGSSGR)
vRBCvHBADP (vRBCvHBADP)
vRBCvHBATP (vRBCvHBATP)
vRBCvHBB13PG (vRBCvHBB13PG)
vRBCvHBB23PG (vRBCvHBB23PG)
vRBCvHBMGATP (vRBCvHBMGATP)
vRBCvHK (vRBCvHK)
vRBCvLACTRANSPORT (vRBCvLACTRANSPORT)
vRBCvLDH (vRBCvLDH)
vRBCvLDHP (vRBCvLDHP)
vRBCvMGADP (vRBCvMGADP)
vRBCvMGATP (vRBCvMGATP)
vRBCvMGB13PG (vRBCvMGB13PG)
vRBCvMGB23PG (vRBCvMGB23PG)
vRBCvMGF16P2 (vRBCvMGF16P2)
vRBCvMGG16P2 (vRBCvMGG16P2)
vRBCvMGPHOS (vRBCvMGPHOS)
vRBCvOX (vRBCvOX)
vRBCvOXNADH (vRBCvOXNADH)
vRBCvP6GDH (vRBCvP6GDH)
vRBCvPFK (vRBCvPFK)
vRBCvPGI (vRBCvPGI)
vRBCvPGK (vRBCvPGK)
vRBCvPGLHYDROLYSIS (vRBCvPGLHYDROLYSIS)
vRBCvPGM (vRBCvPGM)
vRBCvPHOSTRANSPORT (vRBCvPHOSTRANSPORT)
vRBCvPK (vRBCvPK)
vRBCvPYRTRANSPORT (vRBCvPYRTRANSPORT)
vRBCvR5PI (vRBCvR5PI)
vRBCvRu5PE (vRBCvRu5PE)
vRBCvTA (vRBCvTA)
vRBCvTIM (vRBCvTIM)
vRBCvTK1 (vRBCvTK1)
vRBCvTK2 (vRBCvTK2)
vRBCvTK3 (vRBCvTK3)
vRBCvTK4 (vRBCvTK4)
vRBCvTK5 (vRBCvTK5)
vRBCvTK6 (vRBCvTK6)