Structure Database (LMSD)

Common Name
2-chlorostearaldehyde
Systematic Name
2-chlorooctadecanal
Synonyms
LM ID
LMFA06000280
Formula
C18H35OCl
Exact Mass
Calculate m/z
302.237643
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Chromatographic methods for the analyses of 2-halofatty aldehydes and chlorohydrin molecular species of lysophosphatidylcholine.,
J Chromatogr B Analyt Technol Biomed Life Sci, 2009
Pubmed ID: 19091635

String Representations

InChiKey (Click to copy)
GNHIIABOYVKCMU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H35ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-20/h17-18H,2-16H2,1H3
SMILES (Click to copy)
C(C(Cl)CCCCCCCCCCCCCCCC)(=O)[H]

Other Databases

PubChem CID
53861617

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 341.32
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.95
Molar Refractivity 91.15

Admin

Created at
26th Apr 2021
Updated at
26th Apr 2021