Structure Database (LMSD)

Common Name
Anteisoheptadecanoic acid
Systematic Name
14-methyl-hexadecanoic acid
Synonyms
  • (+)-14-methyl palmitic acid
  • Anteisomargaric acid
LM ID
LMFA01020011
Status
Active
Exact Mass
Calculate m/z
270.25588
Formula
C17H34O2
Abbrev
FA 17:0
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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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)
FXUKWLSZZHVEJD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
SMILES (Click to copy)
C(CCCC(C)CC)CCCCCCCCC(=O)O

References

Other Databases

HMDB ID
HMDB0031067
CHEBI ID
84874
LIPIDBANK ID
DFA0236
PubChem CID
22207
PlantFA ID
10213
Cayman ID
24820

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 317.60
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.80
Molar Refractivity 82.49

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Updated at
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