SEQ2FUN

BioLiP

PDB CCD ID: 3HO
Number of entries in BioLiP: 2
Chemical formula: C8 H16 O3
InChI: InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKey: NDPLAKGOSZHTPH-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCC[C@H](O)CC(O)=O
ACDLabs 10.04O=C(O)CC(O)CCCCC
OpenEye OEToolkits 1.5.0CCCCCC(CC(=O)O)O
CACTVS 3.341CCCCC[CH](O)CC(O)=O
OpenEye OEToolkits 1.5.0CCCCC[C@@H](CC(=O)O)O
Name:(3S)-3-hydroxyoctanoic acid
ZINC: ZINC000002019242
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).