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BioLiP

PDB CCD ID: 2HD
Number of entries in BioLiP: 1
Chemical formula: C19 H41 O4 P
InChI: InChI=1S/C19H41O4P/c1-4-7-10-11-12-13-16-24(20)23-18-19(22-15-9-6-3)17-21-14-8-5-2/h19,24H,4-18H2,1-3H3/t19-/m1/s1
InChIKey: NQMHEQXQHWVUHF-LJQANCHMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCCCP(=O)OCC(COCCCC)OCCCC
CACTVS 3.385CCCCCCCC[P@H](=O)OC[C@@H](COCCCC)OCCCC
CACTVS 3.385CCCCCCCC[PH](=O)OC[CH](COCCCC)OCCCC
ACDLabs 12.01O=P(OCC(OCCCC)COCCCC)CCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCC[P@@H](=O)OC[C@@H](COCCCC)OCCCC
Name:(2R)-2,3-dibutoxypropyl (R)-octylphosphinate
ZINC: ZINC000098208175
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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