4-hydroxy-(5E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-) (CHEBI:747770)

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CHEBI:747770 - 4-hydroxy-(5E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-)

Default Structure

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ChEBI ID	CHEBI:747770
ChEBI Name	4-hydroxy-(5E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-)
Stars
Last Modified	18 May 2026
Submitter	laimo
Downloads	Molfile

Formula	C43H62N7O18P3S
Net Charge	-4
Average Mass	1089.989
Monoisotopic Mass	1089.31068
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\C(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-]
InChI	InChI=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
InChIKey	OEYLTQBRRYZPSQ-ILUVCTHBSA-J

ChEBI Ontology

Outgoing Relation(s)
	4-hydroxy-(5E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-) (CHEBI:747770) has functional parent 4-HDoHE(1-) (CHEBI:747169)
	4-hydroxy-(5E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-) (CHEBI:747770) is a unsaturated fatty acyl-CoA(4−) (CHEBI:77632)

Synonym	Source
4-OH-C22:6-CoA(4-)	SUBMITTER

UniProt Name	Source
4-hydroxy-(5E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA	UniProt

Citations