CHEBI:57316 - (S)-3-hydroxybutanoyl-CoA(4−)

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ChEBI Name (S)-3-hydroxybutanoyl-CoA(4−)
ChEBI ID CHEBI:57316
ChEBI ASCII Name (S)-3-hydroxybutanoyl-CoA(4-)
Definition Tetraanion of (S)-3-hydroxybutanoyl-CoA arising from deprotonation of the phosphate and diphosphate OH groups.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H38N7O18P3S
Net Charge -4
Average Mass 849.59200
Monoisotopic Mass 849.121
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)/p-4/t13-,14+,18+,19+,20-,24+/m0/s1
InChIKey QHHKKMYHDBRONY-VKBDFPRVSA-J
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
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-3-hydroxybutanoyl-CoA(4−) (CHEBI:57316) has role human metabolite (CHEBI:77746)
(S)-3-hydroxybutanoyl-CoA(4−) (CHEBI:57316) is a short-chain (3S)-hydroxy fatty acyl-CoA(4−) (CHEBI:136760)
(S)-3-hydroxybutanoyl-CoA(4−) (CHEBI:57316) is conjugate base of (S)-3-hydroxybutanoyl-CoA (CHEBI:15453)
Incoming (S)-3-hydroxybutanoyl-CoA (CHEBI:15453) is conjugate acid of (S)-3-hydroxybutanoyl-CoA(4−) (CHEBI:57316)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonym Source
(3S)-hydroxybutanoyl-CoA UniProt
Last Modified
04 July 2017