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- ChemComp-DS0: [(4R)-4-azanyl-4,5-dihydro-1,2-oxazol-3-yl] dihydrogen phosphate -

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Basic information

EntryDatabase: PDB chemical components / ID: DS0
NameName: [(4R)-4-azanyl-4,5-dihydro-1,2-oxazol-3-yl] dihydrogen phosphate

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Chemical information

Composition
Formula: C3H7N2O5P / Number of atoms: 18 / Formula weight: 182.072 / Formal charge: 0
Others

4c5a

Type: non-polymer / PDB classification: HETAIN / Three letter code: DS0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4C5A
History
Create componentSep 10, 2013
Modify descriptorSep 5, 2014
Initial releaseJan 21, 2015
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=P(O)(OC1=NOCC1N)O
CACTVS 3.385N[CH]1CON=C1O[P](O)(O)=O
OpenEye OEToolkits 1.9.2C1C(C(=NO1)OP(=O)(O)O)N

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SMILES CANONICAL

CACTVS 3.385N[C@@H]1CON=C1O[P](O)(O)=O
OpenEye OEToolkits 1.9.2C1[C@H](C(=NO1)OP(=O)(O)O)N

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InChI

InChI 1.03InChI=1S/C3H7N2O5P/c4-2-1-9-5-3(2)10-11(6,7)8/h2H,1,4H2,(H2,6,7,8)/t2-/m1/s1

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InChIKey

InChI 1.03SFMNESRSKJTEMJ-UWTATZPHSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(4R)-4-amino-4,5-dihydro-1,2-oxazol-3-yl dihydrogen phosphate
OpenEye OEToolkits 1.9.2[(4R)-4-azanyl-4,5-dihydro-1,2-oxazol-3-yl] dihydrogen phosphate

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PDB entries

Showing all 4 items

PDB-4c5a:
The X-ray crystal structures of D-alanyl-D-alanine ligase in complex ADP and D-cycloserine phosphate

PDB-6u1i:
Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphorylated D-cycloserine, Mg2+ and K+

PDB-8evx:
DdlA from Pseudomonas aeruginosa PAO1 in complex with ADP and phosphorylated D-cycloserine

PDB-8evz:
DdlB from Pseudomonas aeruginosa PAO1 in complex with ADP and phosphorylated D-cycloserine

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