NTM - Substance Summary (SID 830208)
Table of Contents Data Source:
Depositor: MMDBExternal ID: 4974.3
Depositor-Supplied Synonyms:
NTM
Properties Computed from Structure:
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 |
Descriptors Computed from Structure:
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
Substance Information:
Depositor-Supplied Comments:
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
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Compound ID | 1066 |
| Molecular Weight | 167.1189 [g/mol] |
| Molecular Formula | C7H5NO4 |
| XLogP3-AA | 0.2 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 5 |
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