Structure Database (LMSD)

Common Name
6-Hydroxy-(E,E)-7,9-heneicosadien-11-one
Systematic Name
6-Hydroxy-(E,E)-7,9-heneicosadien-11-one
Synonyms
LM ID
LMFA12000219
Status
Active
Exact Mass
Calculate m/z
322.28718
Formula
C21H38O2
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]
Oxygenated hydrocarbons [FA12]

String Representations

InChiKey (Click to copy)
YVHOHNBOYSRAMU-JSAVKQRWSA-N
InChi (Click to copy)
InChI=1S/C21H38O2/c1-3-5-7-8-9-10-11-13-17-21(23)19-15-14-18-20(22)16-12-6-4-2/h14-15,18-20,22H,3-13,16-17H2,1-2H3/b18-14+,19-15+
SMILES (Click to copy)
CCCCCC(O)/C=C/C=C/C(=O)CCCCCCCCCC

References

Other Databases

PubChem CID
56936229

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 381.52
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.43
Molar Refractivity 101.17

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Updated at
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