ChemComp-KPR: [(~{E},4~{S})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen ph...

Basic information

• Entry: Database: PDB chemical components / ID: KPR
• Name: Name: [(~{E},4~{S})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate

Chemical information

Composition

Formula: C₅H₁₀NO₅P / Number of atoms: 22 / Formula weight: 195.11 / Formal charge: 0

Others

5lnt

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: KPR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5LNT

History

Create component	Aug 11, 2016
Initial release	Jan 18, 2017

• External links: UniChem / ChemSpider / Wikipedia search / Google search

Details

SMILES

• CACTVS 3.385: C[CH](N)C(=O)C=CO[P](O)(O)=O
• OpenEye OEToolkits 2.0.5: CC(C(=O)C=COP(=O)(O)O)N

SMILES CANONICAL

• CACTVS 3.385: C[C@H](N)C(=O)\C=C\O[P](O)(O)=O
• OpenEye OEToolkits 2.0.5: C[C@@H](C(=O)/C=C/OP(=O)(O)O)N

InChI

• InChI 1.03: InChI=1S/C5H10NO5P/c1-4(6)5(7)2-3-11-12(8,9)10/h2-4H,6H2,1H3,(H2,8,9,10)/b3-2+/t4-/m0/s1

InChIKey

• InChI 1.03: RTVKPJRIOVZREZ-ZPYNKGFJSA-N

SYSTEMATIC NAME

• OpenEye OEToolkits 2.0.5: [(~{E},4~{S})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate

PDB entries

Showing all 2 items

PDB-5lnt:
Crystal structure of Arabidopsis thaliana Pdx1K166R-preI320 complex

PDB-7nhe:
Crystal structure of Arabidopsis thaliana Pdx1K166R-I333 complex