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- ChemComp-MGM: 2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: MGM
NameName: 2-[methyl-(5-geranyl-4-methyl-pent-3-enyl)-amino]-ethyl-diphosphate
Synonyms: 3-AZAGERANYLGERANYL DIPHOSPHATE

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Chemical information

Composition
Formula: C19H37NO7P2 / Number of atoms: 66 / Formula weight: 453.447 / Formal charge: 0
Others

1n4q

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MGM / Model coordinates PDB-ID: 1N4Q
History
Create componentNov 20, 2002
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=P(OP(=O)(OCCN(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)O)(O)O
CACTVS 3.341CN(CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)CCC=C(C)CCC=C(C)C
OpenEye OEToolkits 1.5.0CC(=CCCC(=CCCC(=CCCN(C)CCOP(=O)(O)OP(=O)(O)O)C)C)C

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=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+

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InChIKey

InChI 1.03OEMBPHBKZPOPBN-NWLVNBMCSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-{methyl[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]amino}ethyl trihydrogen diphosphate
OpenEye OEToolkits 1.5.02-[methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethyl phosphono hydrogen phosphate

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PDB entries

Showing all 6 items

PDB-1n4q:
Protein Geranylgeranyltransferase type-I Complexed with a GGPP Analog and a KKKSKTKCVIL Peptide

PDB-1tnb:
Rat Protein Geranylgeranyltransferase Type-I Complexed with a GGPP analog and a substrate KKSKTKCVIF Peptide Derived from TC21

PDB-1tno:
Rat Protein Geranylgeranyltransferase Type-I Complexed with a GGPP analog and a KKKSKTKCVIM Peptide Derived from K-Ras4B

PDB-1tnu:
Rat Protein Geranylgeranyltransferase Type-I Complexed with a GGPP analog and a GCINCCKVL Peptide Derived from RhoB

PDB-1tny:
Rat Protein Geranylgeranyltransferase Type-I Complexed with a GGPP analog and a FREKKFFCAIL Peptide Derived from the Heterotrimeric G Protein Gamma-2 Subunit

PDB-1tnz:
Rat Protein Geranylgeranyltransferase Type-I Complexed with a GGPP analog and a RRCVLL Peptide Derived from Cdc42 splice isoform-2

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