Terminology Service for NFDI4Health
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2-hydroxyicosanoyl-CoA(4-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_138298

A fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxyicosanoyl-CoA; major species at pH 7.3.

Term info

Label

2-hydroxyicosanoyl-CoA(4-)

database cross reference
Subsets

3_STAR

charge

-4

formula

C41H70N7O18P3S

has obo namespace

chebi_ontology

has related synonym

2-hydroxyeicosanoyl-CoA, 2-hydroxyarachidoyl-CoA(4-)

id

CHEBI:138298

inchi

InChI=1S/C41H74N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(49)40(54)70-24-23-43-31(50)21-22-44-38(53)35(52)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-34(65-67(55,56)57)33(51)39(64-30)48-28-47-32-36(42)45-27-46-37(32)48/h27-30,33-35,39,49,51-52H,4-26H2,1-3H3,(H,43,50)(H,44,53)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/t29?,30-,33-,34-,35+,39-/m1/s1

inchikey

OABXIFAEJYWYDG-MNCIRMMRSA-J

mass

1074.020

monoisotopicmass

1073.37328

smiles

[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(C(CCCCCCCCCCCCCCCCCC)O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O