Structure database (LMSD)

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LM IDLMFA01040053
Common Namemethyl 11-(3,5-epidioxy-2-ethyl-cyclopentyl)-9-hydroperoxy-10-undecenoate
Systematic Namemethyl 11-(3,5-epidioxy-2-ethyl-cyclopentyl)-9-hydroperoxy-10-undecenoate
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], Branched fatty acids[FA0102]
AbbrevFA 19:3;O4
LIPIDBANK IDDFA8069
PubChem CID5282888
InChIKeyMJUWCOUUJKOCJT-VAWYXSNFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H32O6/c1-3-15-16(18-13-17(15)24-25-18)12-11-14(23-21)9-7-5-4-6-8-10-19(20)22-2/h11-12,14-18,21H,3-10,13H2,1-2H3/b12-11+
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SMILES
C1(/C=C/C(OO)CCCCCCCC(OC)=O)C2OOC(C2)C1CC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings2Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
360.00Topological Polar
Surface Area
78.36Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
6
 logP5.08Molar
Refractivity
94.01