CHEBI:27639 - (E)-2-benzylidenesuccinyl-CoA

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ChEBI Name (E)-2-benzylidenesuccinyl-CoA ChEBI ID CHEBI:27639 ChEBI ASCII Name (E)-2-benzylidenesuccinyl-CoA Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (E)-2-benzylidenesuccinic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:10948, CHEBI:4731, CHEBI:21124 Supplier Information ChemicalBook:CB7676965, eMolecules:3715154 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C32H44N7O19P3S Net Charge 0 Average Mass 955.71482 Monoisotopic Mass 955.16255 InChI InChI=1S/C32H44N7O19P3S/c1-32(2,26(44)29(45)35-9-8-21(40)34-10-11-62-31(46)19(13-22(41)42)12-18-6-4-3-5-7-18)15-55-61(52,53)58-60(50,51)54-14-20-25(57-59(47,48)49)24(43)30(56-20)39-17-38-23-27(33)36-16-37-28(23)39/h3-7,12,16-17,20,24-26,30,43-44H,8-11,13-15H2,1-2H3,(H,34,40)(H,35,45)(H,41,42)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/b19-12+/t20-,24-,25-,26+,30-/m1/s1 InChIKey CIZCKPNGZPENDV-RUCZCKOISA-N SMILES 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)C(\CC(O)=O)=C\c1ccccc1 Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) View more via ChEBI Ontology ChEBI Ontology Outgoing (E)-2-benzylidenesuccinyl-CoA (CHEBI:27639) is a acyl-CoA (CHEBI:17984) (E)-2-benzylidenesuccinyl-CoA (CHEBI:27639) is conjugate acid of (E)-2-benzylidenesuccinyl-CoA(5−) (CHEBI:58519) Incoming (E)-2-benzylidenesuccinyl-CoA(5−) (CHEBI:58519) is conjugate base of (E)-2-benzylidenesuccinyl-CoA (CHEBI:27639) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-2-(carboxymethyl)-3-phenylprop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources (E)-2-Benzylidenesuccinyl-CoA KEGG COMPOUND (E)-2-benzylidenesuccinyl-coenzyme A ChEBI (trans)-2-benzylidenesuccinyl-CoA ChEBI (trans)-2-benzylidenesuccinyl-coenzyme A ChEBI E-Phenylitaconyl-CoA KEGG COMPOUND Manual Xrefs Databases c0342 UM-BBD C09818 KEGG COMPOUND View more database links Last Modified 04 August 2014