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CHEBI:44277 - 3-AMINOMETHYL-PYRIDINIUM-ADENINE-DINUCLEOTIDE

Default Structure
ChEBI IDCHEBI:44277
ChEBI Name3-AMINOMETHYL-PYRIDINIUM-ADENINE-DINUCLEOTIDE
Stars
DownloadsMolfile
FormulaC21H29N7O13P2
Net Charge0
Average Mass649.447
Monoisotopic Mass649.12986
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([H])([H])N([H])[H])c2[H])[C@]([H])(O[H])[C@]1([H])O[H]
InChIInChI=1S/C21H29N7O13P2/c22-4-10-2-1-3-27(5-10)20-16(31)14(29)11(39-20)6-37-42(33,34)41-43(35,36)38-7-12-15(30)17(32)21(40-12)28-9-26-13-18(23)24-8-25-19(13)28/h1-3,5,8-9,11-12,14-17,20-21,29-32H,4,6-7,22H2,(H3-,23,24,25,33,34,35,36)/t11-,12-,14-,15-,16-,17-,20-,21-/m1/s1
InChIKeyHMCRLFVYYFBZEZ-PLEFRAQWSA-N
ChEBI Ontology
Outgoing Relation(s)
3-AMINOMETHYL-PYRIDINIUM-ADENINE-DINUCLEOTIDE (CHEBI:44277) is a unclassifieds (CHEBI:27189)
Synonym  Source
3-AMINOMETHYL-PYRIDINIUM-ADENINE-DINUCLEOTIDEPDBeChem
Manual XrefsDatabases
NDAPDBeChem