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CHEBI:62075 - (S)-3-hydroxyhexanoyl-CoA(4−)

Default Structure
ChEBI IDCHEBI:62075
ChEBI Name(S)-3-hydroxyhexanoyl-CoA(4−)
Stars
ASCII Name(S)-3-hydroxyhexanoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of (S)-3-hydroxyhexanoyl-CoA; major species at pH 7.3.
Last Modified1 July 2014
SubmitterEugeni Belda
DownloadsMolfile
FormulaC27H42N7O18P3S
Net Charge-4
Average Mass877.653
Monoisotopic Mass877.15418
SMILESCCC[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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=1S/C27H46N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,35,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/p-4/t15-,16+,20+,21+,22-,26+/m0/s1
InChIKeyVAAHKRMGOFIORX-IKTBLOROSA-J
ChEBI Ontology
Outgoing Relation(s)
(S)-3-hydroxyhexanoyl-CoA(4−) (CHEBI:62075) is a acyl-CoA(4−) (CHEBI:58342)
(S)-3-hydroxyhexanoyl-CoA(4−) (CHEBI:62075) is conjugate base of (S)-3-hydroxyhexanoyl-CoA (CHEBI:28276)
Incoming Relation(s)
(S)-3-hydroxyhexanoyl-CoA (CHEBI:28276) is conjugate acid of (S)-3-hydroxyhexanoyl-CoA(4−) (CHEBI:62075)
Synonyms  Source
3-hydroxyhexanoyl-CoA(4−)SUBMITTER
3-OH-hexanoyl-CoA(4−)SUBMITTER
(S)-3-hydroxyhexanoyl-coenzyme A(4−)ChEBI
OH-hexanoyl-CoA(4−)SUBMITTER
UniProt Name  Source
(3S)-hydroxyhexanoyl-CoAUniProt
Manual XrefsDatabases
OH-HEXANOYL-COAMetaCyc