Structure Database (LMSD)

Common Name
Sarcinic acid
Systematic Name
12-methyl-tetradecanoic acid
Synonyms
  • 12-methyl myristic acid
  • Anteisopentadecanoic acid
LM ID
LMFA01020008
Status
Active
Exact Mass
Calculate m/z
242.22458
Formula
C15H30O2
Abbrev
FA 15:0
Show lipids differing only in stereochemistry/bond geometry
View MoNA MS spectra
Download as...
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]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
XKLJLHAPJBUBNL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
SMILES (Click to copy)
C(CC(C)CC)CCCCCCCCC(=O)O

References

Other Databases

KEGG ID
C16665
CHEBI ID
39251
LIPIDBANK ID
DFA0233
PubChem CID
21672
PlantFA ID
10212
Cayman ID
24817

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 283.00
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.02
Molar Refractivity 73.26

Admin

Created at
-
Updated at
-