NMNH (PAMDB120493)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120493
Identification
Name: NMNH
Description:Not Available
Structure
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🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • nicotinamide mononucleotide (reduced)
Chemical Formula: C11H15N2O8P
Average Molecular Weight: 334.222
Monoisotopic Molecular Weight: 336.07227
InChI Key: XQHMUSRSLNRVGA-TURQNECASA-L
InChI:InChI=1S/C11H17N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1,3-4,7-9,11,14-15H,2,5H2,(H2,12,16)(H2,17,18,19)/p-2/t7-,8-,9-,11-/m1/s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C1(=C(CC=CN1C2(OC(COP(=O)([O-])[O-])C(O)C(O)2))C(N)=O)
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as nicotinamide nucleotides. These are pyridine nucleotides, in which the pyridine base is nicotinamide or a derivative thereof.
Kingdom Organic compounds
Super ClassNucleosides, nucleotides, and analogues
Class Pyridine nucleotides
Sub ClassNicotinamide nucleotides
Direct Parent Nicotinamide nucleotides
Alternative Parents
Substituents
  • Nicotinamide-nucleotide
  • Pentose phosphate
  • Pentose-5-phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • Monosaccharide phosphate
  • N-substituted nicotinamide
  • Pentose monosaccharide
  • Dihydropyridine
  • Hydropyridine
  • Monosaccharide
  • Alkyl phosphate
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Vinylogous amide
  • Tetrahydrofuran
  • Carboxamide group
  • 1,2-diol
  • Secondary alcohol
  • Primary carboxylic acid amide
  • Organoheterocyclic compound
  • Azacycle
  • Enamine
  • Oxacycle
  • Carboxylic acid derivative
  • Carbonyl group
  • Organic nitrogen compound
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organonitrogen compound
  • Organooxygen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic anion
  • Aliphatic heteromonocyclic compound
Molecular Framework Aliphatic heteromonocyclic compounds
External Descriptors
  • a small molecule (NMNH)
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight334.221 g/molPubChem
XLogP3-AA-3.4 PubChem
Hydrogen Bond Donor Count3 PubChem
Hydrogen Bond Acceptor Count9 PubChem
Rotatable Bond Count4 PubChem
Exact Mass334.057 g/molPubChem
Monoisotopic Mass334.057 g/molPubChem
Topological Polar Surface Area168 A^2PubChem
Heavy Atom Count22 PubChem
Formal Charge-2 PubChem
Complexity533 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count4 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
NADH + Water → Hydrogen ion + NMNH + AMP
Pathways:
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    PUBCHEM25246098