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CHEBI:41578 - CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE

Default Structure
ChEBI IDCHEBI:41578
ChEBI NameCARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC22H29N7O13P2
Net Charge0
Average Mass661.458
Monoisotopic Mass661.12986
SMILES[H]O[C@@]1([H])[C@]([H])(C([H])([H])O[P@](=O)([O-])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])O[H])C([H])([H])[C@@]([H])([n+]2c([H])c([H])c([H])c(C(=O)N([H])[H])c2[H])[C@@]1([H])O[H]
InChIInChI=1S/C22H29N7O13P2/c23-19-14-21(26-8-25-19)29(9-27-14)22-18(33)17(32)13(41-22)7-40-44(37,38)42-43(35,36)39-6-11-4-12(16(31)15(11)30)28-3-1-2-10(5-28)20(24)34/h1-3,5,8-9,11-13,15-18,22,30-33H,4,6-7H2,(H5-,23,24,25,26,34,35,36,37,38)/t11-,12+,13+,15-,16+,17+,18+,22+/m0/s1
InChIKeyDGPLSUKWXXSBCU-WQZCVVNCSA-N
ChEBI Ontology
Outgoing Relation(s)
CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE (CHEBI:41578) is a unclassifieds (CHEBI:27189)
Synonyms  Source
5'-O-[(R)-[({[4-(3-carbamoylpyridinium-1-yl)-2,3-dihydroxycyclopentyl]methoxy}phosphinato)oxy](hydroxy)phosphoryl]adenosinePDBeChem
CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDEPDBeChem
Manual XrefsDatabases
CNAPDBeChem