CHEBI:37050 - 3-hydroxybutanoyl-CoA

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ChEBI Name 3-hydroxybutanoyl-CoA
ChEBI ID CHEBI:37050
Definition A hydroxybutanoyl-CoA having 3-hydroxybutanoyl as the S-acyl component.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20068, CHEBI:1541
Supplier Information
Download Molfile XML SDF
Formula C25H42N7O18P3S
Net Charge 0
Average Mass 853.62464
Monoisotopic Mass 853.152
InChI InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13?,14-,18-,19-,20+,24-/m1/s1
InChIKey QHHKKMYHDBRONY-RMNRSTNRSA-N
SMILES CC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-hydroxybutanoyl-CoA (CHEBI:37050) has functional parent 3-hydroxybutyric acid (CHEBI:20067)
3-hydroxybutanoyl-CoA (CHEBI:37050) has functional parent butyryl-CoA (CHEBI:15517)
3-hydroxybutanoyl-CoA (CHEBI:37050) has role mouse metabolite (CHEBI:75771)
3-hydroxybutanoyl-CoA (CHEBI:37050) is a 3-hydroxyacyl-CoA (CHEBI:65260)
3-hydroxybutanoyl-CoA (CHEBI:37050) is a hydroxybutanoyl-CoA (CHEBI:24685)
3-hydroxybutanoyl-CoA (CHEBI:37050) is conjugate acid of 3-hydroxybutanoyl-CoA(4−) (CHEBI:78611)
Incoming (R)-3-hydroxybutanoyl-CoA (CHEBI:15452) is a 3-hydroxybutanoyl-CoA (CHEBI:37050)
(S)-3-hydroxybutanoyl-CoA (CHEBI:15453) is a 3-hydroxybutanoyl-CoA (CHEBI:37050)
3-hydroxybutanoyl-CoA(4−) (CHEBI:78611) is conjugate base of 3-hydroxybutanoyl-CoA (CHEBI:37050)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
3-Hydroxybutanoyl-CoA KEGG COMPOUND
3-Hydroxybutyryl-coa ChemIDplus
3-Hydroxybutyryl-coenzyme A ChemIDplus
beta-Hydroxybutyryl-coa ChemIDplus
beta-Hydroxybutyryl-coenzyme A ChemIDplus
Coenzyme A, S-(3-hydroxybutanoate) ChEBI
S-(3-hydroxybutanoyl)-CoA ChEBI
S-(3-hydroxybutanoyl)-coenzyme A ChEBI
S-(3-hydroxybutyryl)-CoA ChEBI
S-(3-hydroxybutyryl)-coenzyme A ChEBI
Manual Xrefs Databases
C05116 KEGG COMPOUND
DB03612 DrugBank
View more database links
Registry Number Type Source
2871-66-1 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21549853 PubMed citation Europe PMC
Last Modified
27 January 2016