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2-methylpropanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104531

	#reac
in my sandbox	0
in MNXref (generic)	71
in models (compartimentalized)	34

formula

C₂₅H₃₈N₇O₁₇P₃S

charge

-4

mass

833.12797

reference

chebi:57338

InChIKey

AEWHYWSPVRZHCT-NDZSKPAWSA-J

InChI

InChI=1S/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/p-4/t14-,17-,18-,19+,23-/m1/s1

SMILES

CC(C)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:57338 chebi:57338	2-methylpropanoyl-CoA 2-methylpropanoyl-CoA(4-) 2-methylpropionyl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl]diphosphate} S-(2-methylpropanoyl)-coenzyme A(4-) isobutyryl-CoA tetraanion isobutyryl-CoA(4-) isobutyryl-coenzyme A(4-)
sabiork.compound:2125 sabiorkM:2125 kegg.compound:C00630 keggC:C00630	2-Methylpropanoyl-CoA 2-Methylpropionyl-CoA Isobutyryl-CoA
bigg.metabolite:ibcoa biggM:ibcoa envipath:...22cfc21bed36 envipathM:...22cfc21bed36	Isobutyryl-CoA
hmdb:HMDB0001243	Isobutyryl-CoA 2-Methylpropanoyl-CoA 2-Methylpropanoyl-coenzyme A 2-Methylpropionyl-CoA 2-Methylpropionyl-coenzyme A Isobutanoyl-CoA Isobutyryl- CoA Isobutyryl- coenzyme A Isobutyryl-coenzyme A S-(2-Methylpropanoate S-(2-Methylpropanoate)CoA S-(2-Methylpropanoate)coenzyme A S-(2-Methylpropanoic acid S-(2-Methylpropanoyl)-CoA S-(2-Methylpropanoyl)-coenzyme A alpha-Methylpropionyl-CoA alpha-Methylpropionyl-coenzyme A isobutyryl- coa {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2-methylpropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
seed.compound:cpd00481 seedM:cpd00481	Isobutyryl-CoA 2-Methylpropanoyl-CoA 2-Methylpropionyl-CoA 2-methylpropanoyl-CoA 2-methylpropionyl-CoA M_Isobutyryl_CoA S-(2-methylpropanoyl)-CoA ibcoa isobutanoyl-CoA isobutyryl-CoA isobutyryl-coenzyme A
lipidmaps:LMFA07050331 lipidmapsM:LMFA07050331	Isobutyryl-CoA CoA 4:0 {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2-methylpropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
metacyc.compound:ISOBUTYRYL-COA metacycM:ISOBUTYRYL-COA	isobutanoyl-CoA 2-methylpropanoyl-CoA 2-methylpropionyl-CoA S-(2-methylpropanoyl)-CoA isobutyryl-CoA isobutyryl-coenzyme A
reactome:R-ALL-70851 reactomeM:R-ALL-70851 CHEBI:15479 chebi:15479	isobutyryl-CoA 2-Methylpropanoyl-CoA 2-Methylpropionyl-CoA 2-methylpropionyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} Isobutyryl-CoA isobutanoyl-CoA
hmdb:HMDB01243 chebi:11629 chebi:1214 chebi:12754 chebi:19712 chebi:41634 biggM:M_ibcoa keggC:M_C00630 seedM:M_cpd00481	secondary/obsolete/fantasy identifier