Terminology Service for NFDI4Health
2-hydroxyheptadecanoyl-CoA(4-)
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http://purl.obolibrary.org/obo/CHEBI_138297
A fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxyheptadecanoyl-CoA; major species at pH 7.3.
Term info
Label
2-hydroxyheptadecanoyl-CoA(4-)
Subsets
3_STAR
charge
-4
formula
C38H64N7O18P3S
has obo namespace
chebi_ontology
has related synonym
2-hydroxyheptadecanoyl-CoA, 2-hydroxyheptadecanoyl-coenzyme A(4-)
id
CHEBI:138297
inchi
InChI=1S/C38H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(46)37(51)67-21-20-40-28(47)18-19-41-35(50)32(49)38(2,3)23-60-66(57,58)63-65(55,56)59-22-27-31(62-64(52,53)54)30(48)36(61-27)45-25-44-29-33(39)42-24-43-34(29)45/h24-27,30-32,36,46,48-49H,4-23H2,1-3H3,(H,40,47)(H,41,50)(H,55,56)(H,57,58)(H2,39,42,43)(H2,52,53,54)/p-4/t26?,27-,30-,31-,32+,36-/m1/s1
inchikey
UORNFJCSMDDBIC-FWWYCUMBSA-J
mass
1031.940
monoisotopicmass
1031.32633
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(CCCCCCCCCCCCCCC)O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
Term relations
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