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(S)-methylmalonyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1107904

	#reac
in my sandbox	0
in MNXref (generic)	102
in models (compartimentalized)	47

formula

C₂₅H₃₅N₇O₁₉P₃S

charge

-5

mass

862.09487

reference

chebi:57327

InChIKey

MZFOKIKEPGUZEN-IBNUZSNCSA-I

InChI

InChI=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

SMILES

C[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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57327 chebi:57327	(S)-methylmalonyl-CoA (S)-methylmalonyl-CoA(5-)
sabiork.compound:5180 sabiorkM:5180	(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	(S)-Methylmalonyl-CoA
kegg.compound:C00683 keggC:C00683	(S)-Methylmalonyl-CoA (2S)-Methylmalonyl-CoA (S)-Methylmalonyl-coenzyme A D-Methylmalonyl-CoA
SLM:000485355 slm:000485355	(S)-methylmalonyl-CoA
metacyc.compound:D-METHYL-MALONYL-COA metacycM:D-METHYL-MALONYL-COA	(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 CHEBI:15466 chebi:15466	(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	(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	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	secondary/obsolete/fantasy identifier