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BioLiP

PDB CCD ID: IY8
Number of entries in BioLiP: 2
Chemical formula: C19 H35 O6 P
InChI: InChI=1S/C19H35O6P/c1-5-6-7-8-9-10-11-12-13-17(14-15-26(22,23)25-4)18(16(2)20)19(21)24-3/h5-6,17-18H,7-15H2,1-4H3,(H,22,23)/b6-5+/t17-,18+/m1/s1
InChIKey: KFPPYXMTKZSOKI-VGRIIWOTSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C/C=C/CCCCCCC[C@H](CCP(=O)(O)OC)[C@H](C(=O)C)C(=O)OC
CACTVS 3.385COC(=O)[C@H]([C@H](CCCCCCC/C=C/C)CC[P](O)(=O)OC)C(C)=O
OpenEye OEToolkits 2.0.7CC=CCCCCCCCC(CCP(=O)(O)OC)C(C(=O)C)C(=O)OC
CACTVS 3.385COC(=O)[CH]([CH](CCCCCCCC=CC)CC[P](O)(=O)OC)C(C)=O
Name:methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinous 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).
  • 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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