Depositor: MMDB
External ID: 4974.3

NTM

Molecular Weight	167.1189 [g/mol]
Molecular Formula	C7H5NO4
XLogP3-AA	0.2
H-Bond Donor	2
H-Bond Acceptor	5
Rotatable Bond Count	2
Exact Mass	167.021858
MonoIsotopic Mass	167.021858
Topological Polar Surface Area	87.5
Heavy Atom Count	12
Formal Charge	0
Complexity	204
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

IUPAC Name: pyridine-2,3-dicarboxylic acid
Canonical SMILES: C1=CC(=C(N=C1)C(=O)O)C(=O)O
InChI: InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKey: GJAWHXHKYYXBSV-UHFFFAOYSA-N

SID 830208   
CID 1066   
Related Substances:

Similar Substances: 466 Links

PDB Accession Code 1QAP
Quinolinic Acid Phosphoribosyltransferase With Bound Quinolinic Acid
Glycosyltransferase
Quinolinic Acid Phosphoribosyltransferase With Bound Quinolinic Acid Glycosyltransferase, Quinolinic Acid, Nad Biosynthesis Mol_id: 1; Molecule: Quinolinic Acid Phosphoribosyltransferase; Chain: A, B; Synonym: Quinolinate Prtase, Qaprtase, Qaprt, Qprt; Ec: 2.4.2.19; Engineered: Yes