Structure Database (LMSD)

Common Name
(2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid
Systematic Name
10R,11S-epoxy-3,7,11-trimethyl-2E,6E-tridecadienoic acid
Synonyms
  • (2E,6E)-(10R,11S)-10,11-Epoxy-3,7,11-trimethyltrideca-2,6-dienoate
  • (2E,6E)-(10R,11S)-10,11-Epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid
  • (2E,6E)-(10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate
  • (2E,6E)-10,11-Epoxy-3,7,11-trimethyltridecadienoic acid
  • (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid
LM ID
LMFA01070019
Formula
C16H26O3
Exact Mass
Calculate m/z
266.188195
Sum Composition
FA 16:3;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Epoxy fatty acids [FA0107]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
CZRJNVJQSPMQTQ-XKLQKUTNSA-N
InChi (Click to copy)
InChI=1S/C16H26O3/c1-5-16(4)14(19-16)10-9-12(2)7-6-8-13(3)11-15(17)18/h7,11,14H,5-6,8-10H2,1-4H3,(H,17,18)/b12-7+,13-11+/t14-,16+/m1/s1
SMILES (Click to copy)
C(=O)(O)/C=C(\C)/CC/C=C(\C)/CC[C@H]1O[C@@]1(C)CC

Other Databases

KEGG ID
C04834
CHEBI ID
15580
PubChem CID
5459797

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 291.45
Topological Polar Surface Area 49.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.66
Molar Refractivity 78.21

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Created at
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Updated at
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