Structure database (LMSD)

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LM IDLMPR0104010022
Common NamePristanic acid (W)
Systematic Name2,6,10,14-tetramethyl-pentadecanoic acid
SynonymsPentadecanoic acid, 2,6,10,14-tetramethyl-; 2,6,10,14-Tetramethylpentadecanoic
acid; Pristanic acid
Exact Mass
298.2872 (neutral)    Calculate m/z:
FormulaC19H38O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Acyclic diterpenoids [PR010401]
LIPIDAT ID1735
PubChem CID123929
HMDB IDHMDB0000795
CHEBI ID51340
CAYMAN ID17264
InChIKeyPAHGJZDQXIOYTH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H38O2/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(20)21/h15-18H,6-14H2,1-5H3,(H,20,21)
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SMILES
C(C(C)CCCC(C)CCCC(C)CCCC(C)C)(=O)O
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
352.20Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.15Molar
Refractivity
91.52