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BioLiP Library

PDB CCD ID: WO0
Number of entries in BioLiP: 1
Chemical formula: C17 H30 O3
InChI: InChI=1S/C17H30O3/c1-11-8-12-13(9-17(11,20)10-14(18)19)16(4,5)7-6-15(12,2)3/h11-13,20H,6-10H2,1-5H3,(H,18,19)/t11-,12+,13+,17-/m0/s1
InChIKey: ROMWJRAXZKFARW-ZBYUQBLASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1CC2C(CC1(CC(=O)O)O)C(CCC2(C)C)(C)C
OpenEye OEToolkits 2.0.7C[C@H]1C[C@@H]2[C@@H](C[C@@]1(CC(=O)O)O)C(CCC2(C)C)(C)C
CACTVS 3.385C[C@H]1C[C@@H]2[C@@H](C[C@]1(O)CC(O)=O)C(C)(C)CCC2(C)C
ACDLabs 12.01O=C(O)CC1(O)CC2C(CC1C)C(C)(C)CCC2(C)C
CACTVS 3.385C[CH]1C[CH]2[CH](C[C]1(O)CC(O)=O)C(C)(C)CCC2(C)C
Name:[(2S,3S,4aR,8aR)-2-hydroxy-3,5,5,8,8-pentamethyldecahydronaphthalen-2-yl]acetic acid
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)(download the PDF file).
  • 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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