Structure Database (LMSD)

Common Name
(7Z)-14-hydroxy-10,13-dioxoheptadec-7-enoic acid
Systematic Name
(7Z)-14-hydroxy-10,13-dioxoheptadec-7-enoic acid
Synonyms
  • (7Z)-14-hydroxy-10,13-dioxo-7-heptadecenoic acid
  • cis-14-hydroxy-10,13-dioxo-7-heptadecenoic acid
  • cis-14-hydroxy-10,13-dioxoheptadec-7-enoic acid
LM ID
LMFA01050450
Formula
C17H28O5
Exact Mass
Calculate m/z
312.193675
Sum Composition
FA 17:3;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]
Oxo fatty acids [FA0106]

String Representations

InChiKey (Click to copy)
QGFDIKLPPWSQIY-ALCCZGGFSA-N
InChi (Click to copy)
InChI=1S/C17H28O5/c1-2-9-15(19)16(20)13-12-14(18)10-7-5-3-4-6-8-11-17(21)22/h5,7,15,19H,2-4,6,8-13H2,1H3,(H,21,22)/b7-5-
SMILES (Click to copy)
C(O)(=O)CCCCC/C=C\CC(=O)CCC(=O)C(O)CCC

References

Other Databases

CHEBI ID
74250
PubChem CID
57465470

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 336.05
Topological Polar Surface Area 91.67
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 3.33
Molar Refractivity 85.15

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Created at
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Updated at
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