(S)-3-hydroxyisobutyryl-CoA (CHEBI:28259)

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CHEBI:28259 - (S)-3-hydroxyisobutyryl-CoA

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ChEBI ID	CHEBI:28259
ChEBI Name	(S)-3-hydroxyisobutyryl-CoA
Stars
ASCII Name	(S)-3-hydroxyisobutyryl-CoA
Definition	A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-3-hydroxyisobutyric acid.
Secondary ChEBI IDs	CHEBI:399, CHEBI:18753
Last Modified	27 January 2017
Downloads	Molfile

Formula	C25H42N7O18P3S
Net Charge	0
Average Mass	853.631
Monoisotopic Mass	853.15199
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
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)/t13-,14+,17+,18+,19-,23+/m0/s1
InChIKey	WWEOGFZEFHPUAM-UQCJFRAESA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090)	-	PubMed (19425150)	Source: BioModels - MODEL1507180067

Roles Classification

Chemical Role:	acyl donor Any donor that can transfer acyl groups between molecular entities.
Biological Roles:	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology

Outgoing Relation(s)
	(S)-3-hydroxyisobutyryl-CoA (CHEBI:28259) has functional parent (S)-3-hydroxyisobutyric acid (CHEBI:37373)
	(S)-3-hydroxyisobutyryl-CoA (CHEBI:28259) has functional parent isobutyryl-CoA (CHEBI:15479)
	(S)-3-hydroxyisobutyryl-CoA (CHEBI:28259) has role human metabolite (CHEBI:77746)
	(S)-3-hydroxyisobutyryl-CoA (CHEBI:28259) has role mouse metabolite (CHEBI:75771)
	(S)-3-hydroxyisobutyryl-CoA (CHEBI:28259) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
	(S)-3-hydroxyisobutyryl-CoA (CHEBI:28259) is a hydroxy fatty acyl-CoA (CHEBI:61902)
	(S)-3-hydroxyisobutyryl-CoA (CHEBI:28259) is conjugate acid of (S)-3-hydroxyisobutyryl-CoA(4−) (CHEBI:62611)
Incoming Relation(s)
Incoming Relation(s)	(S)-3-hydroxyisobutyryl-CoA(4−) (CHEBI:62611) is conjugate base of (S)-3-hydroxyisobutyryl-CoA (CHEBI:28259)

IUPAC Name
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}

Synonyms	Source
(S)-3-hydroxy-2-methylpropanoyl-coenzyme A	ChEBI
(S)-3-hydroxy-2-methylpropionyl-coenzyme A	ChEBI
(S)-3-hydroxyisobutanoyl-CoA	ChEBI
(S)-3-hydroxyisobutanoyl-coenzyme A	ChEBI
(S)-3-hydroxyisobutyryl-coenzyme A	ChEBI
(S)-3-Hydroxyisobutyryl-CoA	KEGG COMPOUND

Manual Xrefs	Databases
C06000	KEGG COMPOUND
HMDB0001052	HMDB

Citations