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BioLiP

PDB CCD ID: RIL
Number of entries in BioLiP: 2
Chemical formula: C12 H23 O5 P
InChI: InChI=1S/C12H23O5P/c1-4-5-6-7-8-18(13,14)16-10-11-9-15-12(2,3)17-11/h4,11H,1,5-10H2,2-3H3,(H,13,14)/t11-/m0/s1
InChIKey: BUTLRPVAJSANIT-NSHDSACASA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC1(C)OC[C@@H](CO[P@](O)(=O)CCCCC=C)O1
OpenEye OEToolkits 1.5.0CC1(OC[C@H](O1)CO[P@](=O)(CCCCC=C)O)C
CACTVS 3.341CC1(C)OC[CH](CO[P](O)(=O)CCCCC=C)O1
ACDLabs 10.04O=P(OCC1OC(OC1)(C)C)(O)CCCC\C=C
OpenEye OEToolkits 1.5.0CC1(OCC(O1)COP(=O)(CCCCC=C)O)C
Name:[(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]METHYL HYDROGEN HEX-5-ENYLPHOSPHONATE;
O-[(R)-1,2,-O-ISOPROPYLIDENE-SN-GLYCEROL]6-HEXENYL PHOSPHONATE;
O-[(R)-IPG] 6-HEXENYL PHOSPHONATE
DrugBank: DB08475
ZINC: ZINC000033821503
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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