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methylmalonyl-CoA

PropertiesImage
MNX_IDMNXM1107905 Image of MNXM1107905
referencechebi:59916
formulaC25H35N7O19P3S
global charge-5
mol weight862.574
InChIKeyMZFOKIKEPGUZEN-FBMOWMAESA-I
InChIInChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/p-5/t12?,13-,16-,17-,18+,22-/m1/s1
SMILESCC(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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12?,13-,16-,17-,18+,22-/m1/s1 Image of MNXM1107905
SMILES (mnx)[C@@H:1]1([O:38]2[O:39]3=[O:41]([O:43]=[O:40]2)[O:44]([OH:47])=[O:46][O:45]=[O:42]3)[CH2:2][C@H:4]([NH:32][CH2:25][N:31]([CH2:24][N:30]([CH2:23][CH2:17][C:19]([CH3:18])([CH3:20])[C@H:21]([C:16]([CH2:14][CH2:12][CH2:13][C:10]([CH2:9][CH2:7][CH2:8][O:48][O:49](=[O:50])[P:54]([PH:52](=[O:51])[PH2:53])[SH:55])=[CH2:11])=[CH2:15])[CH3:22])(=[NH:26])[NH2:27])(=[NH:28])[NH2:29])[C@@H:5]([O:33][O:36]([OH:34])([OH:35])=[O:37])[C@H:3]1[CH3:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)34
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:59916
chebi:59916
MZFOKIKEPGUZEN-FBMOWMAESA-I 		methylmalonyl-CoA
3'-phosphonatoadenosine 5'-[3-(3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-carboxylatopropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl) diphosphate]
methylmalonyl-CoA pentaanion
methylmalonyl-CoA(5-)

sabiork.compound:2446
sabiorkM:2446
MZFOKIKEPGUZEN-FBMOWMAESA-N 		2-Methylmalonyl-CoA
Methylmalonyl coenzyme A
Methylmalonyl-CoA

SLM:000390135
slm:000390135
MZFOKIKEPGUZEN-FBMOWMAESA-I 		Methylmalonyl-CoA
hmdb:HMDB0001269
MZFOKIKEPGUZEN-FBMOWMAESA-N 		Methylmalonyl-CoA
(2S)-3-({2-[3-(3-{[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]methyl}-2-hydroxy-3-methylbutanamido)propanamido]ethyl}sulfanyl)-2-methyl-3-oxopropanoic acid
(2S)-3-{[2-(3-{3-[({[({[(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)methyl]-2-hydroxy-3-methylbutanamido}propanamido)ethyl]sulfanyl}-2-methyl-3-oxopropanoic acid
(R)-Methylmalonyl-CoA
(R)-Methylmalonyl-coenzyme A
(S)-2-Methyl-3-oxopropanoyl-CoA
(S)-Methyl-malonyl-CoA
(S)-Methyl-malonyl-coenzyme A
CH3-Malonyl-CoA
CH3-Malonyl-coenzyme A
D-Methylmalonyl-CoA
D-Methylmalonyl-coenzyme A
L-Methylmalonyl-CoA
L-Methylmalonyl-coenzyme A
Methyl-malonyl-coenzyme A

seed.compound:cpd01675
seedM:cpd01675
kegg.compound:C02557
keggC:C02557
MZFOKIKEPGUZEN-FBMOWMAESA-I
MZFOKIKEPGUZEN-FBMOWMAESA-N 		Methylmalonyl-CoA
2-Methylmalonyl-CoA
Methylmalonyl coenzyme A

CHEBI:16625
chebi:16625
MZFOKIKEPGUZEN-FBMOWMAESA-N 		methylmalonyl-CoA
2-Methylmalonyl-CoA
2-methyl-3-oxopropanoyl-CoAs
2-methylmalonyl-CoA
3'-phosphoadenosine 5'-[3-(3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methyl-3-oxopropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl) dihydrogen diphosphate]
Methylmalonyl coemzyme A
Methylmalonyl coenzyme A
Methylmalonyl-CoA
methylmalonyl coenzyme A

metacyc.compound:Methylmalonyl-CoA
metacycM:Methylmalonyl-CoA
MZFOKIKEPGUZEN-FBMOWMAESA-I 		methylmalonyl-CoA
CH3-malonyl-CoA
methyl-malonyl-coenzyme A

hmdb:HMDB01269
chebi:14604
chebi:19683
chebi:6882
keggC:M_C02557
seedM:M_cpd01675 		secondary/obsolete/fantasy identifier