Structure Database (LMSD)

Common Name
Stearic acid(d3)
Systematic Name
Octadecanoic acid(d3)
Synonyms
LM ID
LMFA01010047
Status
Active (Isotopically labelled standard)
Exact Mass
Calculate m/z
287.290361
Formula
C18H33D3O2
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Straight chain fatty acids [FA0101]

String Representations

InChiKey (Click to copy)
QIQXTHQIDYTFRH-FIBGUPNXSA-N
InChi (Click to copy)
InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/i1D3
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCC([2H])([2H])[2H])C(=O)O

References

Comments
Synthetic deuterated standard

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Synthetic deuterated standard

Other Databases

CHEBI ID
168383
PubChem CID
16213464

Admin

Created at
-
Updated at
29th Jan 2021