Structure Database (LMSD)

Common Name
12-KHT
Systematic Name
12-oxo-5Z,8E,10E-heptadecatrienoic acid
Synonyms
  • 12-oxoHT
LM ID
LMFA03050031
Status
Active
Exact Mass
Calculate m/z
278.188195
Formula
Abbrev


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MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
BEHRKNVAYQNKGG-FQWDWNLFSA-N
InChi (Click to copy)
InChI=1S/C17H26O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5-,8-6+,14-11+
SMILES (Click to copy)
C(=C/C/C=C/C=C/C(=O)CCCCC)/CCCC(=O)O

References

Reference
12(S)-Hydroxy-5,8,10 (Z,E,E)-heptadecatrienoic acid (HHT) is preferentially metabolized to its 12-keto derivative by human erythrocytes in vitro.
Eicosanoids, 1988
DOI: undefined
PMID: 3272822

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

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 315.83
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.45
Molar Refractivity 82.67

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Created at
24th Feb 2021
Updated at
24th Feb 2021