CHEBI:15453 - (S)-3-hydroxybutanoyl-CoA

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ChEBI Name (S)-3-hydroxybutanoyl-CoA
ChEBI ID CHEBI:15453
ChEBI ASCII Name (S)-3-hydroxybutanoyl-CoA
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:39978, CHEBI:394, CHEBI:18749, CHEBI:11048
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+/m0/s1
InChIKey QHHKKMYHDBRONY-VKBDFPRVSA-N
SMILES C[C@H](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:10090) Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:562) 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): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via 3-hydroxybutanoyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-3-hydroxybutanoyl-CoA (CHEBI:15453) has functional parent (S)-3-hydroxybutyric acid (CHEBI:17290)
(S)-3-hydroxybutanoyl-CoA (CHEBI:15453) has role Escherichia coli metabolite (CHEBI:76971)
(S)-3-hydroxybutanoyl-CoA (CHEBI:15453) has role mouse metabolite (CHEBI:75771)
(S)-3-hydroxybutanoyl-CoA (CHEBI:15453) is a 3-hydroxybutanoyl-CoA (CHEBI:37050)
(S)-3-hydroxybutanoyl-CoA (CHEBI:15453) is conjugate acid of (S)-3-hydroxybutanoyl-CoA(4−) (CHEBI:57316)
Incoming (S)-3-hydroxybutanoyl-CoA(4−) (CHEBI:57316) is conjugate base of (S)-3-hydroxybutanoyl-CoA (CHEBI:15453)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(3S)-3-hydroxybutanoyl-CoA UM-BBD
(S)-3-Hydroxybutanoyl-CoA KEGG COMPOUND
(S)-3-hydroxybutyroyl-CoA UM-BBD
(S)-3-Hydroxybutyryl-CoA KEGG COMPOUND
L(+)-3-hydroxybutyroyl-CoA UM-BBD
L(+)-beta-hydroxybutyroyl-CoA UM-BBD
L-3-hydroxybutanoyl-CoA UM-BBD
Database Links Databases
c0030 UM-BBD
C01144 KEGG COMPOUND
View more database links
Last Modified
27 January 2016