Structure Database (LMSD)

Common Name
Margaric acid
Systematic Name
heptadecanoic acid
Synonyms
  • Heptadecylic acid
  • C17:0
  • Daturic acid
  • Daturinic acid
  • Margarinic acid
LM ID
LMFA01010017
Formula
C17H34O2
Exact Mass
Calculate m/z
270.25588
Sum Composition
FA 17:0
Status
Active
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View ion mobility data

Classification

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

Reactions

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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299

String Representations

InChiKey (Click to copy)
KEMQGTRYUADPNZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)
SMILES (Click to copy)
C(CCCCCCC)CCCCCCCCC(=O)O

Other Databases

Wikipedia
Margaric_acid
HMDB ID
HMDB0002259
CHEBI ID
32365
LIPIDBANK ID
DFA0017
PubChem CID
10465
PlantFA ID
10060
SwissLipids ID
SLM:000001095
Cayman ID
19722
PDB ID
X90

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 317.60
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.94
Molar Refractivity 82.56

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Created at
-
Updated at
25th Apr 2022