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BioLiP

PDB CCD ID: 4WC
Number of entries in BioLiP: 2
Chemical formula: C9 H16 O3
InChI: InChI=1S/C9H16O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8,10H,1-6H2,(H,11,12)/t8-/m0/s1
InChIKey: WMHUKKRNWMPXKB-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C1CCC(CC1)C[C@@H](C(=O)O)O
OpenEye OEToolkits 1.9.2C1CCC(CC1)CC(C(=O)O)O
CACTVS 3.385O[CH](CC1CCCCC1)C(O)=O
CACTVS 3.385O[C@@H](CC1CCCCC1)C(O)=O
ACDLabs 12.01O=C(O)C(O)CC1CCCCC1
Name:(S)-CYCLOHEXYL LACTIC ACID
ZINC: ZINC000039279400
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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