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2-methylfumaryl-CoA

Properties
MNX_IDMNXM2693
formulaC26H35N7O19P3S
charge-5
mass874.579163
referencechebi:75635
Image of MNXM2693
InChIKeyLVBVWNJPMXCQJE-CBBDEUQJSA-I
InChIInChI=1S/C26H40N7O19P3S/c1-13(8-16(35)36)25(40)56-7-6-28-15(34)4-5-29-23(39)20(38)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(37)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h8,11-12,14,18-20,24,37-38H,4-7,9-10H2,1-3H3,(H,28,34)(H,29,39)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/p-5/b13-8+/t14-,18-,19-,20+,24-/m1/s1
SMILESC\C(=C/C([O-])=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12

Occurences in reactions

#reac
Distinct reactions in my sandbox 0
Distinct generic reactions in MNXref15
Distinct compatimentalized reactions in models4

Similar chemical compounds in external resources
IdentifierDescription
chebi:75635 2-methylfumaryl-CoA
2-methylfumaroyl-CoA(5-)
2-methylfumaroyl-coenzyme A(5-)
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-3-carboxy-2-methylprop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
mesaconyl-CoA(5-)
mesaconyl-coenzyme A(5-)
lipidmaps:LMFA07050349 mesaconyl-CoA
2-methylfumaroyl-CoA
2-methylfumaroyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-3-carboxy-2-methylprop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
CoA(5:1)
mesaconyl-coenzyme A
biggM:mescoa Mesaconyl-CoA
metacycM:CPD-9408 2-methylfumaryl-CoA
(E)-3-carboxy-2-methylprop-2-enoyl-CoA
mesaconyl-C1-CoA
biggM:M_mescoa
chebi:25201
chebi:6774
hmdb:HMDB60124
keggC:M_C06028
seedM:M_cpd03589
secondary/obsolete/fantasy identifier
chebi:27969 mesaconyl-CoA
2-methylfumaroyl-CoA
2-methylfumaroyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-3-carboxy-2-methylprop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Mesaconyl-C1-CoA
Mesaconyl-CoA
mesaconyl-coenzyme A
hmdb:HMDB0060124 Mesaconyl-CoA
(2E)-4-({2-[(3-{[(2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-3-methyl-4-oxobut-2-enoic acid
(2E)-4-({2-[(3-{[(2R)-4-[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-3-methyl-4-oxobut-2-enoic acid
2-Methylfumaroyl-CoA
2-Methylfumaroyl-coenzyme A
Mesaconyl-C1-CoA
Mesaconyl-coenzyme A
keggC:C06028 2-Methylfumaryl-CoA
(E)-3-Carboxy-2-methylprop-2-enoyl-CoA
Mesaconyl-C1-CoA
Mesaconyl-CoA
seedM:cpd03589 Mesaconyl-CoA
(E)-3-carboxy-2-methylprop-2-enoyl-CoA
2-Methylfumaryl-CoA
2-methylfumaryl-CoA
Mesaconyl-C1-CoA
mesaconyl-C1-CoA
MNXM163428is deprecated and replaced by this entry
MNXM92456is deprecated and replaced by this entry