Structure database (LMSD)

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LM IDLMFA01040057
Common Namemethyl 10,12,13,16-bisepidioxy-9-hydroperoxy-14-octadecenoate
Systematic Namemethyl 10,12,13,16-bisepidioxy-9-hydroperoxy-14-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 IDDFA8076
PubChem CID5282892
InChIKeyLWTWZXHNYOALAJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H32O8/c1-3-14-11-12-16(25-24-14)18-13-17(26-27-18)15(23-21)9-7-5-4-6-8-10-19(20)22-2/h11-12,14-18,21H,3-10,13H2,1-2H3
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SMILES
C1(OOC(C2C=CC(CC)OO2)C1)C(OO)CCCCCCCC(=O)OC
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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