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BioLiP

PDB CCD ID: 10X
Number of entries in BioLiP: 3
Chemical formula: C18 H30 O3
InChI: InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,16-17H,2,4-7,9,12-15H2,1H3,(H,19,20)/b10-3-,11-8-/t16-,17-/m0/s1
InChIKey: BKKGUKSHPCTUGE-WXDGQRKDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCC=CC[CH]1O[CH]1CC=CCCCCCCCC(O)=O
ACDLabs 12.01O=C(O)CCCCCCC/C=C\CC1OC1C\C=C/CC
OpenEye OEToolkits 1.7.6CCC=CCC1C(O1)CC=CCCCCCCCC(=O)O
OpenEye OEToolkits 1.7.6CC/C=C\C[C@H]1[C@@H](O1)C/C=C\CCCCCCCC(=O)O
CACTVS 3.370CC\C=C/C[C@@H]1O[C@H]1C\C=C/CCCCCCCC(O)=O
Name:(9Z)-11-{(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid
ZINC: ZINC000034961763
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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