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BioLiP

PDB CCD ID: PHY
Number of entries in BioLiP: 5
Chemical formula: C6 H15 N O7 P2
InChI: InChI=1S/C6H15NO7P2/c1-4(6(8)9)3-15(10,5(2)7)14-16(11,12)13/h4-5H,3,7H2,1-2H3,(H,8,9)(H2,11,12,13)/t4-,5-,15+/m0/s1
InChIKey: BAIYWTZQRMCJBV-DKDXWZAISA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[C@@H](N)[P@@](=O)(C[C@H](C)C(O)=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0CC(CP(=O)(C(C)N)OP(=O)(O)O)C(=O)O
OpenEye OEToolkits 1.5.0C[C@@H](C[P@](=O)([C@@H](C)N)OP(=O)(O)O)C(=O)O
ACDLabs 10.04O=P(OP(=O)(O)O)(C(N)C)CC(C(=O)O)C
CACTVS 3.341C[CH](N)[P](=O)(C[CH](C)C(O)=O)O[P](O)(O)=O
Name:1(S)-AMINOETHYL-(2-CARBOXYPROPYL)PHOSPHORYL-PHOSPHINIC ACID
ZINC: ZINC000001532435
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).
  • 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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