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CHEBI:44160 - 3-ACETYL PYRIDINE ADENINE DINUCLEOTIDE

Default Structure
ChEBI IDCHEBI:44160
ChEBI Name3-ACETYL PYRIDINE ADENINE DINUCLEOTIDE
Stars
DownloadsMolfile
FormulaC22H28N6O14P2
Net Charge0
Average Mass662.442
Monoisotopic Mass662.11387
SMILES[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(n2c([H])nc3c(N([H])[H])nc([H])nc32)O[C@]1([H])C([H])([H])O[P@@](=O)(O[H])O[P@](=O)([O-])OC([H])([H])[C@@]1([H])O[C@@]([H])([n+]2c([H])c([H])c([H])c(C(=O)C([H])([H])[H])c2[H])[C@]([H])(O[H])[C@]1([H])O[H]
InChIInChI=1S/C22H28N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2-5,8-9,12-13,15-18,21-22,30-33H,6-7H2,1H3,(H3-,23,24,25,34,35,36,37)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1
InChIKeyKPVQNXLUPNWQHM-RBEMOOQDSA-N
ChEBI Ontology
Outgoing Relation(s)
3-ACETYL PYRIDINE ADENINE DINUCLEOTIDE (CHEBI:44160) is a unclassifieds (CHEBI:27189)
Synonym  Source
3-ACETYL PYRIDINE ADENINE DINUCLEOTIDEPDBeChem
Manual XrefsDatabases
NACPDBeChem