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

ChEBI IDCHEBI:58574
ChEBI Name4-hydroxybutyryl-CoA(4−)
Stars
ASCII Name4-hydroxybutyryl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of 4-hydroxybutyryl-CoA; major species at pH 7.3.
Last Modified1 July 2015
DownloadsMolfile
FormulaC25H38N7O18P3S
Net Charge-4
Average Mass849.599
Monoisotopic Mass849.12288
SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCO
InChIInChI=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
InChIKeyBAMBWCGEVIAQBF-CITAKDKDSA-J
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
4-hydroxybutyryl-CoA tetraanionChEBI
GHB-CoA(4-)ChEBI
γ-hydroxybutyryl-CoA(4-)ChEBI
UniProt Name  Source
4-hydroxybutanoyl-CoAUniProt