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12-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoyl-CoA(4-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_136408

A polyunsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 12-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoyl-CoA; major species at pH 7.3.

Term info

Label

12-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoyl-CoA(4-)

database cross reference
Subsets

3_STAR

charge

-4

formula

C41H62N7O18P3S

has obo namespace

chebi_ontology

has related synonym

12-hydroxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl-CoA, (5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoyl-CoA(4-), 12-HETE-CoA(4-)

id

CHEBI:136408

inchi

InChI=1S/C41H66N7O18P3S/c1-4-5-6-7-12-15-18-29(49)19-16-13-10-8-9-11-14-17-20-32(51)70-24-23-43-31(50)21-22-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h9-13,15-16,19,27-30,34-36,40,49,52-53H,4-8,14,17-18,20-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b11-9-,13-10-,15-12-,19-16+/t29?,30-,34-,35-,36+,40-/m1/s1

inchikey

YCBRDAYQJTVLNF-ZHCDMPKSSA-J

mass

1065.956

monoisotopicmass

1065.31068

smiles

C(=C\C(C/C=C\CCCCC)O)/C=C\C/C=C\CCCC(=O)SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O