CHEBI:58574 - 4-hydroxybutyryl-CoA(4−)

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ChEBI Name 4-hydroxybutyryl-CoA(4−)
ChEBI ID CHEBI:58574
ChEBI ASCII Name 4-hydroxybutyryl-CoA(4-)
Definition An acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of 4-hydroxybutyryl-CoA; major species at pH 7.3.
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 849.12288
InChI InChI=1S/C25H42N7O18P3S/c1-25(2,20(37)23(38)28-6-5-15(34)27-7-9-54-16(35)4-3-8-33)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,33,36-37H,3-11H2,1-2H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/p-4/t14-,18-,19-,20+,24-/m1/s1
InChIKey BAMBWCGEVIAQBF-CITAKDKDSA-J
SMILES CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCO
ChEBI Ontology
Outgoing 4-hydroxybutyryl-CoA(4−) (CHEBI:58574) is a acyl-CoA(4−) (CHEBI:58342)
4-hydroxybutyryl-CoA(4−) (CHEBI:58574) is conjugate base of 4-hydroxybutyryl-CoA (CHEBI:28522)
Incoming 4-hydroxybutyryl-CoA (CHEBI:28522) is conjugate acid of 4-hydroxybutyryl-CoA(4−) (CHEBI:58574)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(4-hydroxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
4-hydroxybutanoyl-CoA UniProt
4-hydroxybutyryl-CoA tetraanion ChEBI
γ-hydroxybutyryl-CoA(4-) ChEBI
GHB-CoA(4-) ChEBI
Last Modified
01 July 2015
General Comment
2011-05-25 Major species at pH 7.3.