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
Exact Mass
Calculate m/z
312.193675
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of (7Z)-14-hydroxy-10,13-dioxoheptadec-7-enoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
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
Other Databases
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
Admin
Created at
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Updated at
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