CHEBI:16171 - NMN zwitterion

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name NMN zwitterion
ChEBI ID CHEBI:16171
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14647, CHEBI:12397, CHEBI:7557, CHEBI:13409, CHEBI:18201, CHEBI:14646, CHEBI:10433, CHEBI:25522, CHEBI:22850
Supplier Information
Download Molfile XML SDF
Formula C11H15N2O8P
Net Charge 0
Average Mass 334.21924
Monoisotopic Mass 334.057
InChI 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)/t7-,8-,9-,11-/m1/s1
InChIKey DAYLJWODMCOQEW-TURQNECASA-N
SMILES NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:txid562) See: PubMed
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing NMN zwitterion (CHEBI:16171) has role Escherichia coli metabolite (CHEBI:76971)
NMN zwitterion (CHEBI:16171) has role mouse metabolite (CHEBI:75771)
NMN zwitterion (CHEBI:16171) is a nicotinamide mononucleotide (CHEBI:50383)
NMN zwitterion (CHEBI:16171) is conjugate acid of NMN (CHEBI:14649)
NMN zwitterion (CHEBI:16171) is conjugate base of NMN+ (CHEBI:14648)
Incoming NMN+ (CHEBI:14648) is conjugate acid of NMN zwitterion (CHEBI:16171)
NMN (CHEBI:14649) is conjugate base of NMN zwitterion (CHEBI:16171)
IUPAC Name
3-carbamoyl-1-[5-O-(hydroxyphosphinato)-β-D-ribofuranosyl]pyridinium
Synonyms Sources
3-(aminocarbonyl)-1-(5-O-phosphonato-β-D-ribofuranosyl)pyridinium ChemIDplus
3-(aminocarbonyl)-1-(5-O-phosphono-β-D-ribofuranosyl)pyridinium, inner salt ChemIDplus
beta-Nicotinamide D-ribonucleotide KEGG COMPOUND
beta-Nicotinamide mononucleotide KEGG COMPOUND
beta-Nicotinamide ribonucleotide KEGG COMPOUND
Nicotinamide D-ribonucleotide KEGG COMPOUND
Nicotinamide mononucleotide KEGG COMPOUND
Nicotinamide nucleotide KEGG COMPOUND
Nicotinamide ribonucleotide KEGG COMPOUND
NMN KEGG COMPOUND
Manual Xrefs Databases
C00019694 KNApSAcK
C00455 KEGG COMPOUND
NMN PDBeChem
View more database links
Registry Numbers Types Sources
1094-61-7 CAS Registry Number ChemIDplus
3570187 Beilstein Registry Number Beilstein
Last Modified
27 January 2016