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CHEBI:78611 - 3-hydroxybutanoyl-CoA(4−)

ChEBI IDCHEBI:78611
ChEBI Name3-hydroxybutanoyl-CoA(4−)
Stars
ASCII Name3-hydroxybutanoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of 3-hydroxybutanoyl-CoA; major species at pH 7.3.
Last Modified26 March 2015
Submitterlaimo
DownloadsMolfile
FormulaC25H38N7O18P3S
Net Charge-4
Average Mass849.599
Monoisotopic Mass849.12288
SMILESCC(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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=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-/m1/s1
InChIKeyQHHKKMYHDBRONY-RMNRSTNRSA-J
ChEBI Ontology
Outgoing Relation(s)
3-hydroxybutanoyl-CoA(4−) (CHEBI:78611) is a acyl-CoA(4−) (CHEBI:58342)
3-hydroxybutanoyl-CoA(4−) (CHEBI:78611) is conjugate base of 3-hydroxybutanoyl-CoA (CHEBI:37050)
Incoming Relation(s)
3-hydroxybutanoyl-CoA (CHEBI:37050) is conjugate acid of 3-hydroxybutanoyl-CoA(4−) (CHEBI:78611)
Synonyms  Source
3-hydroxybutyryl-CoA(4−)SUBMITTER
β-hydroxybutyryl-CoA(4−)SUBMITTER
β-hydroxybutanoyl-CoA(4−)ChEBI
UniProt Name  Source
3-hydroxybutanoyl-CoAUniProt