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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-3-hydroxyisobutyryl-CoA
ChEBI ID CHEBI:28259
ChEBI 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:399, CHEBI:18753
Supplier Information
Download Molfile XML SDF
Formula C25H42N7O18P3S
Net Charge 0
Average Mass 853.625
Monoisotopic Mass 853.152
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
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)[C@H](CO)C)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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 Sources
(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-CoA KEGG COMPOUND
(S)-3-hydroxyisobutyryl-coenzyme A ChEBI
Manual Xrefs Databases
C06000 KEGG COMPOUND
HMDB0001052 HMDB
View more database links
Citation Waiting for Citations Type Source
17160907 PubMed citation Europe PMC
Last Modified
27 January 2017