CHEBI:71221 - feruloylacetyl-CoA(4−)

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ChEBI Name feruloylacetyl-CoA(4−) ChEBI ID CHEBI:71221 ChEBI ASCII Name feruloylacetyl-CoA(4-) Definition An acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of feruloylacetyl-CoA; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C33H42N7O20P3S Net Charge -4 Average Mass 981.70800 Monoisotopic Mass 981.14401 InChI 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 InChIKey KBVPPTKWCRMUEW-IIZVUBDFSA-J SMILES 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 Ontology Outgoing feruloylacetyl-CoA(4−) (CHEBI:71221) is a acyl-CoA(4−) (CHEBI:58342) feruloylacetyl-CoA(4−) (CHEBI:71221) is conjugate base of feruloylacetyl-CoA (CHEBI:71236) Incoming trans-feruloylacetyl-CoA(4−) (CHEBI:142389) is a feruloylacetyl-CoA(4−) (CHEBI:71221) feruloylacetyl-CoA (CHEBI:71236) is conjugate acid of feruloylacetyl-CoA(4−) (CHEBI:71221) IUPAC Name 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[5-(4-hydroxy-3-methoxyphenyl)-3-oxopent-4-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate} Synonyms Sources feruloyl-diketide-CoA (4−) ChEBI feruloyl-diketide-coenzyme A(4−) ChEBI feruloylacetyl-coenzyme A(4−) ChEBI Citation Type Source 19258320 PubMed citation SUBMITTER Last Modified 04 October 2018