Structure database (LMSD)

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LM IDLMFA01040051
Common Namemethyl 9-hydroperoxy-10,12,13,15-bisepidioxy-16E-octadecenoate
Systematic Namemethyl 9-hydroperoxy-10,12,13,15-bisepidioxy-16E-octadecenoate
Synonyms-
Exact Mass
388.2097 (neutral)    Calculate m/z:
FormulaC19H32O8
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroperoxy fatty acids [FA0104]
Alternative ClassesUnsaturated fatty acids[FA0103], Octadecanoids[FA02]
AbbrevFA 19:3;O6
LIPIDBANK IDDFA8067
PubChem CID5282886
CHEBI ID141529
InChIKeyWBDZRMWZSZDXFJ-YCRREMRBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H32O8/c1-3-9-14-12-16(25-24-14)18-13-17(26-27-18)15(23-21)10-7-5-4-6-8-11-19(20)22-2/h3,9,14-18,21H,4-8,10-13H2,1-2H3/b9-3+
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SMILES
C1(C2OOC(C2)C(OO)CCCCCCCC(=O)OC)OOC(/C=C/C)C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings2Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
377.58Topological Polar
Surface Area
100.96Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
8
 logP5.11Molar
Refractivity
97.80