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CHEBI:41845 - 4-(N,N-DIMETHYLAMINO)CINNAMOYL-COA

Default Structure
ChEBI IDCHEBI:41845
ChEBI Name4-(N,N-DIMETHYLAMINO)CINNAMOYL-COA
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC32H47N8O17P3S
Net Charge0
Average Mass940.756
Monoisotopic Mass940.19927
SMILES[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])O[P@@](=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)/C([H])=C(\[H])c2c([H])c([H])c(N(C([H])([H])[H])C([H])([H])[H])c([H])c2[H])O[C@@]1([H])n1c([H])nc2c(N([H])[H])nc([H])nc21
InChIInChI=1S/C32H47N8O17P3S/c1-32(2,27(44)30(45)35-12-11-22(41)34-13-14-61-23(42)10-7-19-5-8-20(9-6-19)39(3)4)16-54-60(51,52)57-59(49,50)53-15-21-26(56-58(46,47)48)25(43)31(55-21)40-18-38-24-28(33)36-17-37-29(24)40/h5-10,17-18,21,25-27,31,43-44H,11-16H2,1-4H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/b10-7+/t21-,25-,26-,27+,31-/m1/s1
InChIKeyWWUPGKDRUIPTRA-XITLLWRLSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(N,N-DIMETHYLAMINO)CINNAMOYL-COA (CHEBI:41845) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-(N,N-DIMETHYLAMINO)CINNAMOYL-COAPDBeChem
S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (2E)-3-[4-(dimethylamino)phenyl]prop-2-enethioate (non-preferred name)PDBeChem
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