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(2S)-2-methylbutanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1105985

	#reac
in my sandbox	0
in MNXref (generic)	61
in models (compartimentalized)	25

formula

C₂₆H₄₀N₇O₁₇P₃S

charge

-4

mass

847.14362

reference

chebi:88166

InChIKey

LYNVNYDEQMMNMZ-JRQZLUQRSA-J

InChI

InChI=1S/C26H44N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h12-15,18-20,24,35-36H,5-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t14-,15+,18+,19+,20-,24+/m0/s1

SMILES

CC[C@H](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:88166 chebi:88166	(2S)-2-methylbutanoyl-CoA (S)-2-methylbutanoyl-CoA(4-) (S)-2-methylbutanoyl-coenzyme A(4-) (S)-2-methylbutyryl-CoA(4-) (S)-2-methylbutyryl-coenzyme A(4-)
metacyc.compound:2-METHYL-BUTYRYL-COA metacycM:2-METHYL-BUTYRYL-COA	(2S)-2-methylbutanoyl-CoA (2S)-2-methyl-butyryl-CoA (2S)-2-methylbutyryl-CoA (2S)-alpha-methylbutanoyl-CoA (2S)-alpha-methylbutyryl-CoA
sabiork.compound:26656 sabiorkM:26656 seed.compound:cpd19174 seedM:cpd19174 kegg.compound:C15980 keggC:C15980	(S)-2-Methylbutanoyl-CoA
CHEBI:90222 chebi:90222	(S)-2-methylbutanoyl-CoA (S)-2-methylbutanoyl-coenzyme A (S)-2-methylbutyryl-CoA (S)-2-methylbutyryl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2S)-2-methylbutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
bigg.metabolite:2mbcoa biggM:2mbcoa	2-Methylbutanoyl-CoA
sabiork.compound:2221 sabiorkM:2221 kegg.compound:C01033 keggC:C01033	2-Methylbutanoyl-CoA 2-Methylbutyryl-CoA
seed.compound:cpd00760 seedM:cpd00760	2-Methylbutyryl-CoA 2-Methylbutanoyl-CoA 2-methylbutanoyl-CoA 2-methylbutyryl-CoA 2mbcoa M_2_Methyl_butyryl_CoA S-2-methyl-butyryl-CoA alpha-methylbutanoyl-CoA alpha-methylbutyryl-CoA
reactome:R-ALL-70718 reactomeM:R-ALL-70718 CHEBI:15477 chebi:15477	2-methylbutanoyl-CoA 2-Methylbutanoyl-CoA 2-Methylbutyryl-CoA 2-methylbutanoyl-coenzyme A 2-methylbutyryl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} S-(2-methylbutanoyl)-CoA
CHEBI:57336 chebi:57336	2-methylbutanoyl-CoA 2-methylbutanoyl-CoA tetraanion 2-methylbutanoyl-CoA(4-) 2-methylbutanoyl-coenzyme A(4-) 2-methylbutyryl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] diphosphate}
lipidmaps:LMFA07050190 lipidmapsM:LMFA07050190	2-methylbutanoyl-CoA 2-methylbutanoyl-coenzyme A 2-methylbutyryl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} CoA 5:0 S-(2-methylbutanoyl)-CoA
chebi:11616 chebi:1201 chebi:19693 chebi:80225 biggM:M_2mbcoa keggC:M_C01033 keggC:M_C15980 seedM:M_cpd00760 seedM:M_cpd19174	secondary/obsolete/fantasy identifier