Structure database (LMSD)

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LM IDLMPR0104010018
Common Name(Z,Z,Z)-geranylgeraniol
Systematic Name(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
Synonymsnerylnerol
Exact Mass
290.2610 (neutral)    Calculate m/z:
FormulaC20H34O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Acyclic diterpenoids [PR010401]
PubChem Compound ID (CID)13292465
CHEBI ID18822
InChIKeyOJISWRZIEWCUBN-XBQSVVNOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13
,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11-,19-13-,20-15-
SMILESCC(C)=CCC/C(/C)=C\CC/C(/C)=C\CC/C(/C)=C\CO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
352.79Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP6.41Molar
Refractivity
95.98    
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