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BioLiP

PDB CCD ID: TCE
Number of entries in BioLiP: 30
Chemical formula: C9 H15 O6 P
InChI: InChI=1S/C9H15O6P/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15/h1-6H2,(H,10,11)(H,12,13)(H,14,15)
InChIKey: PZBFGYYEXUXCOF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)CCP(CCC(O)=O)CCC(O)=O
OpenEye OEToolkits 1.5.0C(CP(CCC(=O)O)CCC(=O)O)C(=O)O
ACDLabs 10.04O=C(O)CCP(CCC(=O)O)CCC(=O)O
Name:3,3',3''-phosphanetriyltripropanoic acid;
3-[bis(2-carboxyethyl)phosphanyl]propanoic acid
ChEMBL: CHEMBL171512
ZINC: ZINC000002517013
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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