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(S)-methylmalonyl-CoA

MNXM89955 is deprecated and here replaced by MNXM1107904
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1107904 Image of MNXM1107904
referencechebi:57327
formulaC25H35N7O19P3S
global charge-5
mol weight862.574
InChIKeyMZFOKIKEPGUZEN-IBNUZSNCSA-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+/m0/s1
SMILESC[C@@H](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](N2C=NC3=C2N=CN=C3N)[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+/m0/s1 Image of MNXM1107904
SMILES (mnx)[CH3:1][C@@H:12]([C:23](=[O:37])[OH:38])[C:24](=[O:39])[S:55][CH2:7][CH2:6][N:27]=[C:14]([CH2:4][CH2:5][N:28]=[C:21]([C@@H:18]([C:25]([CH3:2])([CH3:3])[CH2:9][O:48][P:54]([OH:45])(=[O:46])[O:51][P:53]([OH:43])(=[O:44])[O:47][CH2:8][C@@H:13]1[C@@H:17]([O:50][P:52]([OH:40])([OH:41])=[O:42])[C@@H:16]([OH:34])[C@H:22]([N:32]2[CH:11]=[N:31][C:15]3=[C:19]([NH2:26])[N:29]=[CH:10][N:30]=[C:20]32)[O:49]1)[OH:35])[OH:36])[OH:33]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)105
in models (compartimentalized) 46
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57327
chebi:57327
MZFOKIKEPGUZEN-IBNUZSNCSA-I 		(S)-methylmalonyl-CoA
(S)-methylmalonyl-CoA(5-)

sabiork.compound:5180
sabiorkM:5180
MZFOKIKEPGUZEN-IBNUZSNCSA-N 		(S)-2-Methyl-3-oxopropanoyl-CoA
(S)-2-Methyl-3-oxopropionyl-CoA
(S)-3-oxo-2-methylpropanoyl-CoA
(S)-Methylmalonyl-CoA
(S)-Methylmalonyl-coenzyme A

bigg.metabolite:mmcoa__S
biggM:mmcoa__S
MZFOKIKEPGUZEN-IBNUZSNCSA-I 		(S)-Methylmalonyl-CoA

kegg.compound:C00683
keggC:C00683
MZFOKIKEPGUZEN-IBNUZSNCSA-N 		(S)-Methylmalonyl-CoA
(2S)-Methylmalonyl-CoA
(S)-Methylmalonyl-coenzyme A
D-Methylmalonyl-CoA

SLM:000485355
slm:000485355
MZFOKIKEPGUZEN-IBNUZSNCSA-I 		(S)-methylmalonyl-CoA

vmhM:mmcoa_S
vmhmetabolite:mmcoa_S
MZFOKIKEPGUZEN-IBNUZSNCSA-I 		(S)-methylmalonyl-CoA(5-)
(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-meth

metacyc.compound:D-METHYL-MALONYL-COA
metacycM:D-METHYL-MALONYL-COA
MZFOKIKEPGUZEN-IBNUZSNCSA-I 		(S)-methylmalonyl-CoA
(2S)-methyl-malonyl-CoA
CH3-malonyl-CoA
D-methylmalonyl-CoA
methyl-malonyl-coenzyme A

reactome:R-ALL-71019
reactomeM:R-ALL-71019
reactome:R-ALL-9635466
reactomeM:R-ALL-9635466
CHEBI:15466
chebi:15466
MZFOKIKEPGUZEN-IBNUZSNCSA-N 		(S)-methylmalonyl-CoA
(S)-2-Methyl-3-oxopropanoyl-CoA
(S)-2-Methyl-3-oxopropionyl-CoA
(S)-3-oxo-2-methylpropanoyl-CoA
(S)-Methylmalonyl-CoA
(S)-Methylmalonyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2S)-2-methyl-3-oxopropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}

lipidmaps:LMFA07050164
lipidmapsM:LMFA07050164
MZFOKIKEPGUZEN-IBNUZSNCSA-N 		(S)-methylmalonyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2S)-2-methyl-3-oxopropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
CoA 4:1
O2

seed.compound:cpd00519
seedM:cpd00519
MZFOKIKEPGUZEN-IBNUZSNCSA-I 		D-methylmalonyl-CoA
(2S)-Methylmalonyl-CoA
(2S)-methyl-malonyl-CoA
(S)-2-Methyl-3-oxopropionyl-CoA
(S)-3-Oxo-2-methylpropanoyl-CoA
(S)-Methylmalonyl-CoA
(S)-Methylmalonyl-coenzyme A
(S)-methylmalonyl-CoA
CH3-malonyl-CoA
D-Methylmalonyl-CoA
methyl-malonyl-coenzyme A
mmcoa-S

chebi:11038
chebi:11068
chebi:18742
chebi:384
chebi:43874
biggM:M_mmcoa__S
keggC:M_C00683
seedM:M_cpd00519
vmhM:M_mmcoa_S 		secondary/obsolete/fantasy identifier