more general categories
information about this item
04. Bioactive Capabilities of Specific Chemicals
04. Bioactive Capabilities of Specific Chemicals
feruloylacetyl-CoA(4-) [CHEBI:71221] (1)
feruloylacetyl-CoA(4-) [CHEBI:71221] (1)
feruloylacetyl-CoA(4-) [CHEBI:71221] (1)
08. Chemical Category
08. Chemical Category
feruloylacetyl-CoA(4-) [CHEBI:71221] (1)
feruloylacetyl-CoA(4-) [CHEBI:71221] (1)
feruloylacetyl-CoA(4-) [CHEBI:71221] (1)
feruloylacetyl-CoA(4-) [CHEBI:71221] (1)
feruloylacetyl-CoA(4-) [CHEBI:71221] (1)
ChEBI Compound Accession Identifier :
[CHEBI:71221]
ChEBI Compound Description :
"An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of feruloylacetyl-CoA; major species at pH 7.3."
ChEBI Compound Identification Number :
71221
ChEBI InChI Value :
InChI=1S/C33H46N7O20P3S/c1-33(2,28(46)31(47)36-9-8-23(43)35-10-11-64-24(44)13-19(41)6-4-18-5-7-20(42)21(12-18)55-3)15-57-63(53,54)60-62(51,52)56-14-22-27(59-61(48,49)50)26(45)32(58-22)40-17-39-25-29(34)37-16-38-30(25)40/h4-7,12,16-17,22,26-28,32,42,45-46H,8-11,13-15H2,1-3H3,(H,35,43)(H,36,47)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50)/p-4/t22-,26-,27-,28?,32-/m1/s1
ChEBI InChIKey Value :
KBVPPTKWCRMUEW-IIZVUBDFSA-J
ChEBI Compound Name :
feruloylacetyl-CoA(4-)
ChEBI SMILES Value :
COc1cc(C=CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)n2cnc3c(N)ncnc23)ccc1O
ChEBI Substance ID :
160646108
ChEBI URL :
ChEBI:71221
ChemSpider ID :
NS
Ontomatica Chemical Accession Key (OnChAKey) :
KBVPPTKWCRMUEW_IIZVUBDFSA_J_000_000000
PubChem Compound ID :
70679045