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CHEBI:45812 - SINAPOYL COENZYME A

Default Structure
ChEBI IDCHEBI:45812
ChEBI NameSINAPOYL COENZYME A
Stars
DownloadsMolfile
FormulaC32H44N7O20P3S
Net Charge0
Average Mass971.722
Monoisotopic Mass971.15747
SMILES[H]Oc1c(OC([H])([H])[H])c([H])c(/C([H])=C(\[H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@@]2(O[H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]2([H])O[P@](=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(n3c([H])nc4c(N([H])[H])nc([H])nc43)[C@@]([H])(O[H])[C@]2([H])OP(=O)(O[H])O[H])c([H])c1OC([H])([H])[H]
InChIInChI=1S/C32H44N7O20P3S/c1-31(2)29(32(31,45)30(44)35-8-7-20(40)34-9-10-63-21(41)6-5-16-11-17(53-3)23(42)18(12-16)54-4)58-62(51,52)59-61(49,50)55-13-19-25(57-60(46,47)48)24(43)28(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h5-6,11-12,14-15,19,24-25,28-29,42-43,45H,7-10,13H2,1-4H3,(H,34,40)(H,35,44)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/b6-5+/t19-,24+,25-,28-,29-,32-/m1/s1
InChIKeyHJGDVDUGXUSOGA-YMVOPXNESA-N
ChEBI Ontology
Outgoing Relation(s)
SINAPOYL COENZYME A (CHEBI:45812) is a unclassifieds (CHEBI:27189)
Synonym  Source
SINAPOYL COENZYME APDBeChem
Manual XrefsDatabases
SPFPDBeChem