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(S)-3-hydroxyisobutanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1105906

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	4

formula

C₂₅H₃₈N₇O₁₈P₃S

charge

-4

mass

849.12288

reference

chebi:62611

InChIKey

WWEOGFZEFHPUAM-UQCJFRAESA-J

InChI

InChI=1S/C25H42N7O18P3S/c1-13(8-33)24(38)54-7-6-27-15(34)4-5-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,33,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/p-4/t13-,14+,17+,18+,19-,23+/m0/s1

SMILES

C[C@@H](CO)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:62611 chebi:62611	(S)-3-hydroxyisobutanoyl-CoA (S)-3-hydroxy-2-methylpropanoyl-coenzyme A(4-) (S)-3-hydroxyisobutanoyl-CoA(4-) (S)-3-hydroxyisobutyryl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2S)-3-hydroxy-2-methylpropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
seed.compound:cpd23280 seedM:cpd23280	(S)-3-Hydroxy-2-methylpropionyl-CoA (S)-3-hydroxy-2-methylpropanoyl-CoA (S)-3-hydroxy-isobutanoyl-CoA (S)-3-hydroxy-isobutyryl-CoA (S)-3-hydroxy-isobutyryl-coenzyme A (S)-beta-hydroxy-isobutyryl-CoA
bigg.metabolite:3hibutcoa biggM:3hibutcoa sabiork.compound:2846 sabiorkM:2846 kegg.compound:C06000 keggC:C06000	(S)-3-Hydroxyisobutyryl-CoA
metacyc.compound:CPD-12173 metacycM:CPD-12173	(S)-3-hydroxy-isobutanoyl-CoA (S)-3-Hydroxy-2-methylpropionyl-CoA (S)-3-hydroxy-2-methylpropanoyl-CoA (S)-3-hydroxy-isobutyryl-CoA (S)-3-hydroxy-isobutyryl-coenzyme A (S)-beta-hydroxy-isobutyryl-CoA
reactome:R-ALL-71847 reactomeM:R-ALL-71847 CHEBI:28259 chebi:28259	(S)-3-hydroxyisobutyryl-CoA (S)-3-Hydroxyisobutyryl-CoA (S)-3-hydroxy-2-methylpropanoyl-coenzyme A (S)-3-hydroxy-2-methylpropionyl-coenzyme A (S)-3-hydroxyisobutanoyl-CoA (S)-3-hydroxyisobutanoyl-coenzyme A (S)-3-hydroxyisobutyryl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2S)-3-hydroxy-2-methylpropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
lipidmaps:LMFA07050157 lipidmapsM:LMFA07050157	(S)-3-hydroxyisobutyryl-CoA (S)-3-hydroxy-2-methylpropanoyl-coenzyme A (S)-3-hydroxy-2-methylpropionyl-coenzyme A (S)-3-hydroxyisobutanoyl-CoA (S)-3-hydroxyisobutanoyl-coenzyme A (S)-3-hydroxyisobutyryl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2S)-3-hydroxy-2-methylpropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 4:0 O
bigg.metabolite:HC01223 biggM:HC01223	3-Hydroxyisobutyryl Coenzyme A
chebi:18753 chebi:399 biggM:M_3hibutcoa biggM:M_HC01223 keggC:M_C06000 seedM:M_cpd23280	secondary/obsolete/fantasy identifier