SEQ2FUN

BioLiP

PDB CCD ID: S2G
Number of entries in BioLiP: 8
Chemical formula: C5 H8 O5
InChI: InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKey: HWXBTNAVRSUOJR-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@@H](C(=O)O)O
CACTVS 3.370O[CH](CCC(O)=O)C(O)=O
CACTVS 3.370O[C@@H](CCC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)C(O)CCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)O
Name:(2S)-2-HYDROXYPENTANEDIOIC ACID
ChEMBL: CHEMBL1615211
ZINC: ZINC000000402967
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).