SEQ2FUN

BioLiP

PDB CCD ID: MGM
Number of entries in BioLiP: 65
Chemical formula: C19 H37 N O7 P2
InChI: InChI=1S/C19H37NO7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+
InChIKey: OEMBPHBKZPOPBN-NWLVNBMCSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CN(CCO[P@@](O)(=O)O[P](O)(O)=O)CC/C=C(C)/CC\C=C(/C)CCC=C(C)C
OpenEye OEToolkits 1.5.0CC(=CCC/C(=C/CC/C(=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O)/C)/C)C
OpenEye OEToolkits 1.5.0CC(=CCCC(=CCCC(=CCCN(C)CCOP(=O)(O)OP(=O)(O)O)C)C)C
CACTVS 3.341CN(CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)CCC=C(C)CCC=C(C)C
ACDLabs 10.04O=P(OP(=O)(OCCN(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)O)(O)O
Name:2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE;
3-AZAGERANYLGERANYL DIPHOSPHATE
ChEMBL: CHEMBL71360
DrugBank: DB08180
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).