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2-hydroxyhexanoyl-CoA(4-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_138630

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

Term info

Label

2-hydroxyhexanoyl-CoA(4-)

Subsets

3_STAR

charge

-4

formula

C27H42N7O18P3S

has obo namespace

chebi_ontology

has related synonym

2-hydroxyhexanoyl-CoA, 2-hydroxycaproyl-CoA(4-)

id

CHEBI:138630

inchi

InChI=1S/C27H46N7O18P3S/c1-4-5-6-15(35)26(40)56-10-9-29-17(36)7-8-30-24(39)21(38)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-20(51-53(41,42)43)19(37)25(50-16)34-14-33-18-22(28)31-13-32-23(18)34/h13-16,19-21,25,35,37-38H,4-12H2,1-3H3,(H,29,36)(H,30,39)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/p-4/t15?,16-,19-,20-,21+,25-/m1/s1

inchikey

FWPHMBHGUDAPRV-XGGCCDIMSA-J

mass

877.647

monoisotopicmass

877.15418

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(CCCC)O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O