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BioLiP Library

PDB CCD ID: APO
Number of entries in BioLiP: 5
Chemical formula: C3 H8 N O5 P
InChI: InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
InChIKey: LBTABPSJONFLPO-UWTATZPHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)P(=O)(O)O
ACDLabs 10.04O=C(O)C(N)CP(=O)(O)O
CACTVS 3.341N[C@H](C[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@H](C(=O)O)N)P(=O)(O)O
CACTVS 3.341N[CH](C[P](O)(O)=O)C(O)=O
Name:D-2-AMINO-3-PHOSPHONO-PROPIONIC ACID
ChEMBL: CHEMBL1231023
DrugBank: DB03292
ZINC: ZINC000003873029
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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