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BioLiP

PDB CCD ID: CIT
Number of entries in BioLiP: 22
Chemical formula: C6 H8 O7
InChI: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey: KRKNYBCHXYNGOX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)O)C(CC(=O)O)(C(=O)O)O
ACDLabs 10.04O=C(O)CC(O)(C(=O)O)CC(=O)O
CACTVS 3.341OC(=O)CC(O)(CC(O)=O)C(O)=O
Name:CITRIC ACID
ChEMBL: CHEMBL1261
DrugBank: DB04272
ZINC: ZINC000000895081
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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