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CHEBI:43816 - (3S)-5-(3-CARBOXY-3-HYDROXYPROPYL) NICOTINAMIDE-ADENINE-DINUCLEOTIDE

Default Structure
ChEBI IDCHEBI:43816
ChEBI Name(3S)-5-(3-CARBOXY-3-HYDROXYPROPYL) NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Stars
DownloadsMolfile
FormulaC25H33N7O17P2
Net Charge0
Average Mass765.519
Monoisotopic Mass765.14082
SMILES[H]OC(=O)[C@@]([H])(O[H])C([H])([H])C([H])([H])c1c([H])c(C(=O)N([H])[H])c([H])[n+]([C@]2([H])O[C@]([H])(C([H])([H])O[P@](=O)(O[H])O[P@](=O)([O-])OC([H])([H])[C@@]3([H])O[C@@]([H])(n4c([H])nc5c(N([H])[H])nc([H])nc54)[C@]([H])(O[H])[C@]3([H])O[H])[C@@]([H])(O[H])[C@@]2([H])O[H])c1[H]
InChIInChI=1S/C25H33N7O17P2/c26-20-15-22(29-8-28-20)32(9-30-15)24-19(37)17(35)14(48-24)7-46-51(43,44)49-50(41,42)45-6-13-16(34)18(36)23(47-13)31-4-10(1-2-12(33)25(39)40)3-11(5-31)21(27)38/h3-5,8-9,12-14,16-19,23-24,33-37H,1-2,6-7H2,(H6-,26,27,28,29,38,39,40,41,42,43,44)/t12-,13+,14+,16+,17+,18+,19+,23+,24+/m0/s1
InChIKeyPLMTVPOYALSQOL-AMUFZZJCSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-5-(3-CARBOXY-3-HYDROXYPROPYL) NICOTINAMIDE-ADENINE-DINUCLEOTIDE (CHEBI:43816) is a unclassifieds (CHEBI:27189)
Synonym  Source
(3S)-5-(3-CARBOXY-3-HYDROXYPROPYL) NICOTINAMIDE-ADENINE-DINUCLEOTIDEPDBeChem
Manual XrefsDatabases
LNCPDBeChem