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BioLiP

PDB CCD ID: 7P9
Number of entries in BioLiP: 10
Chemical formula: C19 H37 O8 P
InChI: InChI=1S/C19H37O8P/c1-3-5-7-9-10-12-14-19(21)27-17(16-26-28(22,23)24)15-25-18(20)13-11-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m1/s1
InChIKey: XKPYMIOWFWFMRM-QGZVFWFLSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)CO[P](O)(O)=O
ACDLabs 12.01O=C(OC(COP(=O)(O)O)COC(=O)CCCCCC)CCCCCCCC
OpenEye OEToolkits 1.9.2CCCCCCCCC(=O)OC(COC(=O)CCCCCC)COP(=O)(O)O
OpenEye OEToolkits 1.9.2CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)O
CACTVS 3.385CCCCCCCCC(=O)O[CH](COC(=O)CCCCCC)CO[P](O)(O)=O
Name:[(2R)-2-heptanoyloxy-3-phosphonooxy-propyl] nonanoate
ZINC: ZINC000098208577
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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