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BioLiP

PDB CCD ID: DS0
Number of entries in BioLiP: 8
Chemical formula: C3 H7 N2 O5 P
InChI: InChI=1S/C3H7N2O5P/c4-2-1-9-5-3(2)10-11(6,7)8/h2H,1,4H2,(H2,6,7,8)/t2-/m1/s1
InChIKey: SFMNESRSKJTEMJ-UWTATZPHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH]1CON=C1O[P](O)(O)=O
OpenEye OEToolkits 1.9.2C1[C@H](C(=NO1)OP(=O)(O)O)N
ACDLabs 12.01O=P(O)(OC1=NOCC1N)O
OpenEye OEToolkits 1.9.2C1C(C(=NO1)OP(=O)(O)O)N
CACTVS 3.385N[C@@H]1CON=C1O[P](O)(O)=O
Name:[(4R)-4-azanyl-4,5-dihydro-1,2-oxazol-3-yl] dihydrogen phosphate
ZINC: ZINC000263621035

Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).
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