EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:747825 - (4S)-hydroxy-(5E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-)

Default Structure
ChEBI IDCHEBI:747825
ChEBI Name(4S)-hydroxy-(5E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-)
Stars
Last Modified2 June 2026
Submitterlaimo
DownloadsMolfile
FormulaC43H62N7O18P3S
Net Charge-4
Average Mass1089.989
Monoisotopic Mass1089.31068
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCC(=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/C43H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31(51)21-22-34(53)72-26-25-45-33(52)23-24-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h5-6,8-9,11-12,14-15,17-20,29-32,36-38,42,51,54-55H,4,7,10,13,16,21-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,20-19+/t31-,32-,36-,37-,38+,42-/m1/s1
InChIKeyOEYLTQBRRYZPSQ-KICSSPKFSA-J
ChEBI Ontology
Outgoing Relation(s)
(4S)-hydroxy-(5E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-) (CHEBI:747825) has functional parent (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4−) (CHEBI:74298)
(4S)-hydroxy-(5E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-) (CHEBI:747825) is a unsaturated fatty acyl-CoA(4−) (CHEBI:77632)
Synonym  Source
(S)-OH-C22:5(5E,7Z,10Z,13Z,16Z,19Z)-CoA(4-)SUBMITTER
UniProt Name  Source
(4S)-hydroxy-(5E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoAUniProt
Citations