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CHEBI:747771 - 4-phospho-(5E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(6-)

Default Structure
ChEBI IDCHEBI:747771
ChEBI Name4-phospho-(5E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(6-)
Stars
Last Modified18 May 2026
Submitterlaimo
DownloadsMolfile
FormulaC43H61N7O21P4S
Net Charge-6
Average Mass1167.952
Monoisotopic Mass1167.26246
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\C(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-])OP(=O)([O-])[O-]
InChIInChI=1S/C43H67N7O21P4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31(69-72(56,57)58)21-22-34(52)76-26-25-45-33(51)23-24-46-41(55)38(54)43(2,3)28-67-75(64,65)71-74(62,63)66-27-32-37(70-73(59,60)61)36(53)42(68-32)50-30-49-35-39(44)47-29-48-40(35)50/h5-6,8-9,11-12,14-15,17-20,29-32,36-38,42,53-54H,4,7,10,13,16,21-28H2,1-3H3,(H,45,51)(H,46,55)(H,62,63)(H,64,65)(H2,44,47,48)(H2,56,57,58)(H2,59,60,61)/p-6/b6-5-,9-8-,12-11-,15-14-,18-17-,20-19+/t31?,32-,36-,37-,38+,42-/m1/s1
InChIKeyGMLFYQBCEFXGKZ-ILUVCTHBSA-H
ChEBI Ontology
Outgoing Relation(s)
4-phospho-(5E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(6-) (CHEBI:747771) has functional parent (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016)
4-phospho-(5E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(6-) (CHEBI:747771) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
Synonym  Source
4-P-C22:6-CoA(6-)SUBMITTER
UniProt Name  Source
4-phospho-(5E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoAUniProt
Citations