EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:177916 - (S)-3-hydroxyglutaryl-CoA(5−)

ChEBI IDCHEBI:177916
ChEBI Name(S)-3-hydroxyglutaryl-CoA(5−)
Stars
ASCII Name(S)-3-hydroxyglutaryl-CoA(5-)
Last Modified23 February 2022
Submitterlaimo
DownloadsMolfile
FormulaC26H37N7O20P3S
Net Charge-5
Average Mass892.600
Monoisotopic Mass892.10544
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)C[C@@H](O)CC(=O)[O-]
InChIInChI=1S/C26H42N7O20P3S/c1-26(2,21(40)24(41)29-4-3-15(35)28-5-6-57-17(38)8-13(34)7-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-20(52-54(42,43)44)19(39)25(51-14)33-12-32-18-22(27)30-11-31-23(18)33/h11-14,19-21,25,34,39-40H,3-10H2,1-2H3,(H,28,35)(H,29,41)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/p-5/t13-,14+,19+,20+,21-,25+/m0/s1
InChIKeyIIYZSYKTQRIPRG-UPWLPGGHSA-I
ChEBI Ontology
Outgoing Relation(s)
(S)-3-hydroxyglutaryl-CoA(5−) (CHEBI:177916) has functional parent trans-4-carboxybut-2-enoyl-CoA(5−) (CHEBI:57353)
(S)-3-hydroxyglutaryl-CoA(5−) (CHEBI:177916) is a ω-carboxy-(fatty acyl)-CoA(5−) (CHEBI:177898)
Synonym  Source
(3S)-hydroxypentanedioyl-CoA(5−)SUBMITTER
UniProt Name  Source
(S)-3-hydroxyglutaryl-CoAUniProt
Citations