β-nicotinamide D-ribonucleotide

Chemical Formula:

C₁₁H₁₄N₂O₈P

Molecular Weight:

333.214 Daltons

Monoisotopic Mass:

335.0644270108 Daltons

SMILES:

C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O1)[N+]2(C=CC=C(C(=O)N)C=2))

InChI:

1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/p-1/t7-,8-,9-,11-/m1/s1

InChIKey:

DAYLJWODMCOQEW-TURQNECASA-M

Synonyms

Databases

MetaCyc: NICOTINAMIDE_NUCLEOTIDE

RefMet: Nicotinamide ribotide

BiGG: nmn

MetaboLights: MTBLC14649

HMDB: HMDB00229

ChemSpider: 19954080

ChEBI: 14649 16171

PubChem (CID): 23617374 135433360

KEGG: C00455

Seed: cpd00355

MetaNetX: MNXM355

PupChem (SID): 3741

CHEMBL: CHEMBL610238

KNApSAcK: C00019694

PDB-CCD: NMN

3DMET: B01247

NIKKAJI: J9.877I

CAS: 1094-61-7