Structure database (LMSD)

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LM IDLMFA01040038
Common Namemethyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate
Systematic Namemethyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate
Synonyms-
Exact Mass
324.2301 (neutral)    Calculate m/z:
FormulaC19H32O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroperoxy fatty acids [FA0104]
Alternative ClassesUnsaturated fatty acids[FA0103], Octadecanoids[FA02]
AbbrevFA 19:3;O2
LIPIDBANK IDDFA8054
PubChem CID5282873
InChIKeyJZABNNCYXIODDU-UNABKFHLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H32O4/c1-3-4-5-6-9-12-15-18(23-21)16-13-10-7-8-11-14-17-19(20)22-2/h4-5,9,12-13,16,18,21H,3,6-8,10-11,14-15,17H2,1-2H3/b5-4-,12-9-,16-13+
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SMILES
C(OO)(C/C=C\C/C=C\CC)/C=C/CCCCCCC(=O)OC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
361.86Topological Polar
Surface Area
55.76Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP5.67Molar
Refractivity
94.54