Structure Database (LMSD)

Common Name
pristanal
Systematic Name
2,6,10,14-tetramethylpentadecanal
Synonyms
LM ID
LMPR0104010012
Formula
C19H38O
Exact Mass
Calculate m/z
282.292265
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Acyclic diterpenoids [PR010401]

String Representations

InChiKey (Click to copy)
IZJRIIWUSIGEAJ-UHFFFAOYSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
CC(C)CCCC(C)CCCC(C)CCCC(C)C=O

Other Databases

HMDB ID
HMDB0001958
CHEBI ID
49189
PubChem CID
14671060
SwissLipids ID
SLM:000389944

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 343.41
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.26
Molar Refractivity 89.95

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Updated at
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