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BioLiP

PDB CCD ID: PRU
Number of entries in BioLiP: 2
Chemical formula: C12 H18 O8
InChI: InChI=1S/C12H18O8/c1-6(10(15)16)4-8(12(19)20)5-7(11(17)18)2-3-9(13)14/h6-8H,2-5H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7-,8-/m1/s1
InChIKey: UEYGDIASMOPQFG-BWZBUEFSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(CC(CC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O
ACDLabs 12.01O=C(O)C(CC(C(=O)O)CCC(=O)O)CC(C(=O)O)C
CACTVS 3.385C[CH](C[CH](C[CH](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O
CACTVS 3.385C[C@H](C[C@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C[C@H](C[C@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O
Name:(3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid;
Polyacrylic acid
ZINC: ZINC000039958480
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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