MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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beta-nicotinamide D-ribonucleotide

	Properties	Image
MNX_ID	MNXM355
reference	chebi:14649
formula	C₁₁H₁₄N₂O₈P
global charge	-1
mol weight	333.213
InChIKey	DAYLJWODMCOQEW-TURQNECASA-M
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)/p-1/t7-,8-,9-,11-/m1/s1
SMILES	NC(=O)C1=C[N+]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)=CC=C1

MNX internals

InChI (mnx)	InChI=1/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
SMILES (mnx)	[CH:1]1=[CH:2][C:6]([C:10](=[NH:12])[OH:16])=[CH:4][N+:13]([C@H:11]2[C@H:9]([OH:15])[C@H:8]([OH:14])[C@@H:7]([CH2:5][O:20][P:22]([OH:17])([O-:18])=[O:19])[O:21]2)=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	26
in models (compartimentalized)	29

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-8869353 reactomeM:R-ALL-8869353 reactome:R-ALL-8940067 reactomeM:R-ALL-8940067 CHEBI:14649 chebi:14649 DAYLJWODMCOQEW-TURQNECASA-M	beta-nicotinamide D-ribonucleotide 3-carbamoyl-1-(5-O-phosphonato-beta-D-ribofuranosyl)pyridinium NMN(-)
bigg.metabolite:nmn biggM:nmn DAYLJWODMCOQEW-TURQNECASA-M	NMN
CHEBI:16171 chebi:16171 DAYLJWODMCOQEW-TURQNECASA-N	NMN zwitterion 3-(aminocarbonyl)-1-(5-O-phosphonato-beta-D-ribofuranosyl)pyridinium 3-(aminocarbonyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium, inner salt 3-carbamoyl-1-[5-O-(hydroxyphosphinato)-beta-D-ribofuranosyl]pyridinium NMN Nicotinamide D-ribonucleotide Nicotinamide mononucleotide Nicotinamide nucleotide Nicotinamide ribonucleotide beta-Nicotinamide D-ribonucleotide beta-Nicotinamide mononucleotide beta-Nicotinamide ribonucleotide
CHEBI:14648 chebi:14648 DAYLJWODMCOQEW-TURQNECASA-O	NMN(+) 3-carbamoyl-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium
vmhM:nmn vmhmetabolite:nmn DAYLJWODMCOQEW-TURQNECASA-M	NMN 3-carbamoyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1lambda5-pyridin-1-ylium
kegg.compound:C00455 keggC:C00455 DAYLJWODMCOQEW-TURQNECASA-N	Nicotinamide D-ribonucleotide NMN Nicotinamide mononucleotide Nicotinamide nucleotide Nicotinamide ribonucleotide beta-Nicotinamide D-ribonucleotide beta-Nicotinamide mononucleotide beta-Nicotinamide ribonucleotide
sabiork.compound:3871 sabiorkM:3871 DAYLJWODMCOQEW-TURQNECASA-N	Nicotinamide nucleotide NMN Nicotinamide D-ribonucleotide Nicotinamide mononucleotide Nicotinamide ribonucleotide beta-Nicotinamide D-ribonucleotide beta-Nicotinamide mononucleotide beta-Nicotinamide ribonucleotide
seed.compound:cpd00355 seedM:cpd00355 DAYLJWODMCOQEW-TURQNECASA-M	Nicotinamide ribonucleotide NMN Nicotinamide D-ribonucleotide Nicotinamide mononucleotide Nicotinamide nucleotide beta-Nicotinamide D-ribonucleotide beta-Nicotinamide mononucleotide beta-Nicotinamide ribonucleotide beta-nicotinamide D-ribonucleotide beta-nicotinamide mononucleotide beta-nicotinamide nucleotide beta-nicotinamide ribonucleotide nmn
hmdb:HMDB0000229 DAYLJWODMCOQEW-TURQNECASA-O	Nicotinamide ribotide 3-(Aminocarbonyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium 3-carbamoyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1lambda5-pyridin-1-ylium Mononucleotide, nicotinamide NMN Nicotinamide mononucleotide Nicotinamide ribonucleoside 5'-phosphate Nicotinamide ribonucleotide b-Nicotinamide D-ribonucleotide beta-D-NMN beta-NMN beta-Nicotinamide D-ribonucleotide beta-Nicotinamide mononucleotide beta-Nicotinamide nucleotide beta-Nicotinamide ribonucleotide
metacyc.compound:NICOTINAMIDE_NUCLEOTIDE metacycM:NICOTINAMIDE_NUCLEOTIDE DAYLJWODMCOQEW-TURQNECASA-M	beta-nicotinamide D-ribonucleotide NMN beta-nicotinamide mononucleotide beta-nicotinamide nucleotide beta-nicotinamide ribonucleotide
hmdb:HMDB00229 hmdb:HMDB0059645 hmdb:HMDB59645 chebi:10433 chebi:12397 chebi:13409 chebi:14646 chebi:14647 chebi:22850 chebi:25522 chebi:7557 biggM:M_nmn keggC:M_C00455 seedM:M_cpd00355 vmhM:M_nmn	secondary/obsolete/fantasy identifier