LIPID MAPS

Structure Database (LMSD)

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Common Name

2-chloro-stearic acid

Systematic Name

2-chlorooctadecanoic acid

Synonyms

LM ID

LMFA01090163

Formula

C₁₈H₃₅O₂Cl

Exact Mass

Calculate m/z

318.232558

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Alpha-chlorofatty acid accumulates in activated monocytes and causes apoptosis through reactive oxygen species production and endoplasmic reticulum stress.,
Arterioscler Thromb Vasc Biol, 2014

Pubmed ID: 24371082

DOI: 10.1161/ATVBAHA.113.302544

String Representations

InChiKey (Click to copy)

DQNLLSNNESIVOE-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C18H35ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17H,2-16H2,1H3,(H,20,21)

SMILES (Click to copy)

C(Cl)(CCCCCCCCCCCCCCCC)C(=O)O

Other Databases

PubChem CID

13059777

Calculated Physicochemical Properties

Heavy Atoms 21

Rings

Aromatic Rings

Rotatable Bonds 16

Van der Waals Molecular Volume 350.11

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 6.84

Molar Refractivity 92.72

Admin

Created at

20th Aug 2021

Updated at