Terminology Service for NFDI4Health
(3S)-hydroxyadipyl-CoA(5-)
Go to external page
http://purl.obolibrary.org/obo/CHEBI_132183
An acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions of (3S)-hydroxyadipyl-CoA.
Term info
Label
(3S)-hydroxyadipyl-CoA(5-)
Subsets
2_STAR
charge
-5
formula
C27H39N7O20P3S
has obo namespace
chebi_ontology
has related synonym
(3S)-3-hydroxyadipyl-CoA
id
CHEBI:132183
inchi
InChI=1S/C27H44N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-21(53-55(43,44)45)20(40)26(52-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-15,20-22,26,35,40-41H,3-11H2,1-2H3,(H,29,36)(H,30,42)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/p-5/t14-,15+,20+,21+,22-,26+/m0/s1
inchikey
OTEACGAEDCIMBS-NOTSHUFBSA-I
mass
906.622
monoisotopicmass
906.12109
smiles
[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C[C@@H](O)CCC([O-])=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
Term relations
Subclass of:
- acyl-CoA oxoanion
- has functional parent some oxoacid
- is conjugate base of some (3S)-3-Hydroxyadipyl-CoA
Related from: