Structure Database (LMSD)

O OH
Common Name
Sarcinic acid
Systematic Name
12-methyl-tetradecanoic acid
Synonyms
  • 12-methyl myristic acid
  • Anteisopentadecanoic acid
LM ID
LMFA01020008
Formula
Exact Mass
Calculate m/z
242.22458
Sum Composition
Status
Active

Main

Classification

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
CHEBI ID
LIPIDBANK ID
DFA0233
PubChem CID
PlantFA ID
Cayman ID

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

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Created at
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Updated at
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