CHEBI:15464 - (E,E)-piperonyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (E,E)-piperonyl-CoA
ChEBI ID CHEBI:15464
ChEBI ASCII Name (E,E)-piperonyl-CoA
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10958, CHEBI:281, CHEBI:18632
Supplier Information
Download Molfile XML SDF
Formula C33H44N7O19P3S
Net Charge 0
Average Mass 967.72552
Monoisotopic Mass 967.16255
InChI InChI=1S/C33H44N7O19P3S/c1-33(2,28(44)31(45)36-10-9-23(41)35-11-12-63-24(42)6-4-3-5-19-7-8-20-21(13-19)54-18-53-20)15-56-62(51,52)59-61(49,50)55-14-22-27(58-60(46,47)48)26(43)32(57-22)40-17-39-25-29(34)37-16-38-30(25)40/h3-8,13,16-17,22,26-28,32,43-44H,9-12,14-15,18H2,1-2H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/b5-3+,6-4+/t22-,26-,27-,28+,32-/m1/s1
InChIKey GEVZCNXLEOONCV-TZKXQVKESA-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=C\C=C\c1ccc2OCOc2c1
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,E)-piperonyl-CoA (CHEBI:15464) has functional parent (E,E)-piperic acid (CHEBI:37316)
(E,E)-piperonyl-CoA (CHEBI:15464) has functional parent coenzyme A (CHEBI:15346)
(E,E)-piperonyl-CoA (CHEBI:15464) is a benzodioxoles (CHEBI:38298)
(E,E)-piperonyl-CoA (CHEBI:15464) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(E,E)-piperonyl-CoA (CHEBI:15464) is conjugate acid of (E,E)-piperonyl-CoA(4−) (CHEBI:57325)
Incoming (E,E)-piperonyl-CoA(4−) (CHEBI:57325) is conjugate base of (E,E)-piperonyl-CoA (CHEBI:15464)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E,4E)-5-(2H-1,3-benzodioxol-5-yl)penta-2,4-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(E,E)-piperoyl-CoA ChEBI
(E,E)-Piperoyl-CoA KEGG COMPOUND
Manual Xref Database
C02611 KEGG COMPOUND
View more database links
Last Modified
21 January 2015