Structure database (LMSD)

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LM IDLMFA01040055
Common Namemethyl 9-hydroperoxy-10,13-epdioxy-11,15-octadecadienoate
Systematic Namemethyl 9-hydroperoxy-10,13-epdioxy-11,15-octadecadienoate
Synonyms-
Exact Mass
356.2199 (neutral)    Calculate m/z:
FormulaC19H32O6
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroperoxy fatty acids [FA0104]
Alternative ClassesUnsaturated fatty acids[FA0103], Octadecanoids[FA02]
AbbrevFA 19:3;O4
LIPIDBANK IDDFA8074
PubChem CID5282890
InChIKeyQYIHGBRMANIEFK-XBXARRHUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H32O6/c1-3-4-8-11-16-14-15-18(25-24-16)17(23-21)12-9-6-5-7-10-13-19(20)22-2/h4,8,14-18,21H,3,5-7,9-13H2,1-2H3/b8-4+
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SMILES
C(CCCCCCC(=O)OC)C(C1C=CC(OO1)C/C=C/CC)OO
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings1Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
369.72Topological Polar
Surface Area
78.36Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
6
 logP5.39Molar
Refractivity
96.17