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3-methylbutanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104535

	#reac
in my sandbox	0
in MNXref (generic)	60
in models (compartimentalized)	31

formula

C₂₆H₄₀N₇O₁₇P₃S

charge

-4

mass

847.14362

reference

chebi:57345

InChIKey

UYVZIWWBJMYRCD-ZMHDXICWSA-J

InChI

InChI=1S/C26H44N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-15,19-21,25,36-37H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t15-,19-,20-,21+,25-/m1/s1

SMILES

CC(C)CC(=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:57345 chebi:57345	3-methylbutanoyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] diphosphate} 3-methylbutanoyl-CoA(4-) isopentanoyl-CoA(4-) isopentanoyl-coenzyme A(4-) isovaleryl-CoA tetraanion isovaleryl-CoA(4-) isovaleryl-coenzyme A(4-)
sabiork.compound:2599 sabiorkM:2599	3-Methylbutanoyl-CoA Isopentanoyl-CoA Isovaleryl-CoA
kegg.compound:C02939 keggC:C02939	3-Methylbutanoyl-CoA Isovaleryl-CoA
metacyc.compound:ISOVALERYL-COA metacycM:ISOVALERYL-COA	3-methylbutanoyl-CoA 3-methylbutyryl-CoA S-(3-methylbutanoate) coenzyme A iso-valeryl-CoA isovaleryl-CoA isovaleryl-coenzyme A
bigg.metabolite:ivcoa biggM:ivcoa	Isovaleryl-CoA
lipidmaps:LMFA07050336 lipidmapsM:LMFA07050336	Isovaleryl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} 3-methylbutanoyl-coenzyme A 3-methylbutyryl-CoA 3-methylbutyryl-coenzyme A CoA 5:0 beta-methylbutanoyl-CoA beta-methylbutanoyl-coenzyme A beta-methylbutyryl-CoA beta-methylbutyryl-coenzyme A isovaleryl-coenzyme A
seed.compound:cpd01882 seedM:cpd01882	Isovaleryl-CoA 3-Methylbutanoyl-CoA 3-methylbutanoyl-CoA 3-methylbutyryl-CoA S-(3-methylbutanoate) coenzyme A iso-valeryl-CoA isovaleryl-CoA isovaleryl-coenzyme A ivcoa
reactome:R-ALL-70715 reactomeM:R-ALL-70715 CHEBI:15487 chebi:15487	isovaleryl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} 3-Methylbutanoyl-CoA 3-methylbutanoyl-coenzyme A 3-methylbutyryl-CoA 3-methylbutyryl-coenzyme A Isovaleryl-CoA S-(3-methylbutanoyl)-coenzyme A beta-methylbutanoyl-CoA beta-methylbutanoyl-coenzyme A beta-methylbutyryl-CoA beta-methylbutyryl-coenzyme A isovaleryl-coenzyme A
chebi:11856 chebi:14481 chebi:1598 chebi:20126 biggM:M_ivcoa keggC:M_C02939 seedM:M_cpd01882	secondary/obsolete/fantasy identifier