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04. Bioactive Capabilities of Specific Chemicals
04. Bioactive Capabilities of Specific Chemicals
2-hydroxybenzoyl-CoA(4-) [CHEBI:67148] (1)
08. Chemical Category
08. Chemical Category
2-hydroxybenzoyl-CoA(4-) [CHEBI:67148] (1)
2-hydroxybenzoyl-CoA(4-) [CHEBI:67148] (1)
2-hydroxybenzoyl-CoA(4-) [CHEBI:67148] (1)
2-hydroxybenzoyl-CoA(4-) [CHEBI:67148] (1)
2-hydroxybenzoyl-CoA(4-) [CHEBI:67148] (1)
ChEBI Compound Accession Identifier :
[CHEBI:67148]
ChEBI Compound Description :
"An acyl-CoA(4-) that is the tetraanion of 2-hydroxybenzoyl-CoA, arising from deprotonation of phosphate and diphosphate functions; major species at pH 7.3."
ChEBI Compound Identification Number :
67148
ChEBI InChI Value :
InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/p-4/t17-,20-,21-,22+,26-/m1/s1
ChEBI InChIKey Value :
YTKKDFTVSNSVEE-TYHXJLICSA-J
ChEBI Compound Name :
2-hydroxybenzoyl-CoA(4-)
ChEBI SMILES Value :
CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1O
ChEBI Substance ID :
160645391
ChEBI URL :
ChEBI:67148
ChemSpider ID :
NS
Ontomatica Chemical Accession Key (OnChAKey) :
YTKKDFTVSNSVEE_TYHXJLICSA_J_000_000000
PubChem Compound ID :
46173287