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BioLiP

PDB CCD ID: MUP
Number of entries in BioLiP: 1
Chemical formula: C12 H27 O3 P
InChI: InChI=1S/C12H27O3P/c1-3-4-5-6-7-8-9-10-11-12-16(13,14)15-2/h3-12H2,1-2H3,(H,13,14)
InChIKey: JBVUSHKPEBKWQP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=P(O)(OC)CCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCC[P@](=O)(O)OC
CACTVS 3.341CCCCCCCCCCC[P](O)(=O)OC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCP(=O)(O)OC
CACTVS 3.341CCCCCCCCCCC[P@@](O)(=O)OC
Name:METHOXYUNDECYLPHOSPHINIC ACID
DrugBank: DB08222
ZINC: ZINC000002043208
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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