Structure Database (LMSD)

Common Name
Pentadecylic acid(d3)
Systematic Name
Pentadecanoic acid(d3)
Synonyms
LM ID
LMFA01010045
Formula
C15H27D3O2
Exact Mass
Calculate m/z
245.243411
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Biological Context

Pentadecanoic acid-d3 is intended for use as an internal standard for the quantification of pentadecanoic acid by GC- or LC-MS. Pentadecanoic acid is a 15:0 saturated fatty acid found in esterified form in the lipids of many bacterial species and in the milk fat of ruminants.1 It has been used as a biological marker for the intake of dairy fat in the assessment of metabolic risk factors.1,2

This information has been provided by Cayman Chemical

References

1. Wolk, A., Vessby, B., Ljung, H., et al. Evaluation of a biological marker of dairy fat intake. Am. J. Clin. Nutr. 68(2), 291-295 (1998).
2. Smedman, A.E., Gustafsson, I.B., Berglund, L.G., et al. Pentadecanoic acid in serum as a marker for intake of milk fat: Relations between intake of milk fat and metabolic risk factors. Am. J. Clin. Nutr. 69(1), 22-29 (1999).

References

Comments
Synthetic deuterated standard

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
WQEPLUUGTLDZJY-FIBGUPNXSA-N
InChi (Click to copy)
InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)/i1D3
SMILES (Click to copy)
C(CCCCCCCCCCCCC([2H])([2H])[2H])C(=O)O

Other Databases

CHEBI ID
169232
PubChem CID
44256490
Cayman ID
28596

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Created at
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Updated at
29th Jan 2021