Structure database (LMSD)

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LM IDLMPR0104010012
Common Namepristanal
Systematic Name2,6,10,14-tetramethylpentadecanal
Synonyms-
Exact Mass
282.2923 (neutral)    Calculate m/z:
FormulaC19H38O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Acyclic diterpenoids [PR010401]
PubChem CID14671060
HMDB IDHMDB0001958
CHEBI ID49189
SWISSLIPIDS IDSLM:000389944
InChIKeyIZJRIIWUSIGEAJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H38O/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20/h15-19H,6-14H2,1-5H3
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SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)C=O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
343.41Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP6.26Molar
Refractivity
89.95