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BioLiP

PDB CCD ID: 3AG
Number of entries in BioLiP: 3
Chemical formula: C9 H18 N O7 P2
InChI: InChI=1S/C9H21NO7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5H,4,6-8H2,1-3H3,(H,14,15)(H2,11,12,13)/p-3
InChIKey: UWHNDWYDKGVRGE-UHFFFAOYSA-K
SMILES:
SoftwareSMILES
CACTVS 3.341CN(CCO[P]([O-])(=O)O[P]([O-])([O-])=O)CCC=C(C)C
OpenEye OEToolkits 1.5.0CC(=CCCN(C)CCOP(=O)([O-])OP(=O)([O-])[O-])C
OpenEye OEToolkits 1.5.0CC(=CCC[N@](C)CCO[P@](=O)([O-])OP(=O)([O-])[O-])C
Name:2-[METHYL-(4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE;
3-AZA-2,3-DIHYDROGERANYL DIPHOSPHATE
DrugBank: DB02369
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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