Marvin  10180713422D          

  9  9  0  0  1  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  7  1  0  0  0  0
  4  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  0  0  0  0
  3  6  1  0  0  0  0
  6  5  2  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
> <ID>
CHEBI:17154

> <NAME>
nicotinamide

> <DEFINITION>
A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44258; CHEBI:7556; CHEBI:14645; CHEBI:25521

> <SYNONYM>
Vitamin PP; vitamin B3; pyridine-3-carboxylic acid amide; Nikotinsaeureamid; Nikotinamid; nicotylamide; Nicotinsaeureamid; nicotinic amide; nicotinic acid amide; nicotine amide; nicotine acid amide; nicotinamide; Nicotinamid; niamide; Niacinamide; niacin; m-(aminocarbonyl)pyridine; beta-pyridinecarboxamide; beta-pyridinecarboxamide; 3-pyridinecarboxamide; 3-carbamoylpyridine

> <IUPAC_NAME>
pyridine-3-carboxamide

> <INN>
nicotinamidum; nicotinamide; nicotinamide; nicotinamida

> <FORMULA>
C6H6N2O

> <MASS>
122.12472

> <MONOISOTOPIC_MASS>
122.04801

> <CHARGE>
0

> <SMILES>
NC(=O)c1cccnc1

> <INCHI>
InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)

> <INCHIKEY>
DFPAKSUCGFBDDF-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
383619

> <CAS_REGISTRY_NUMBER>
98-92-0

> <GMELIN_REGISTRY_NUMBER>
3336

> <REAXYS_REGISTRY_NUMBER>
383619

> <CHEMIDPLUS>
98-92-0

> <DRUGBANK_ACCESSION>
DB02701

> <KEGG_COMPOUND_ACCESSION>
C00153

> <KEGG_DRUG_ACCESSION>
D00036

> <KNAPSACK_ACCESSION>
C00000209

> <LINCS_ACCESSION>
LSM-5428

> <METACYC_ACCESSION>
NIACINAMIDE

> <NIST_CHEMISTRY_WEBBOOK>
98-92-0

> <PDBECHEM_ACCESSION>
NCA

> <WIKIPEDIA_ACCESSION>
Nicotinamide

> <PUBMED_CITATION>
10884473; 11355130; 11814060; 12014919; 12487919; 12519385; 12709297; 12782109; 12890690; 14729974; 14757966; 14871431; 15497767; 15563975; 15780941; 15807725; 15834926; 15995937; 16029679; 16209160; 16596767; 16766489; 16871361; 17021258; 17129213; 18234191; 18316796; 18368629; 18373238; 18389009; 18514428; 18930755; 18987186; 19212411; 19539713; 19544437; 2026685; 21503886; 21891976; 21918528; 21926578; 22067079; 22160932; 22207684; 22232263; 22281243; 22359146; 22361740; 22407380; 22456321; 22536229; 22543086; 22626821; 22699421; 22709272; 22763693; 22770225; 23016598; 23028781; 23043891; 23047329; 24027187; 24077178; 24559077; 24635573; 25504347; 25561219; 31710686; 32249824; 33196157; 33471934; 8620561; 8767167; 9518388

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