Structure Database (LMSD)

Common Name
FAHFA 16:0/11O(FA 18:3(9Z,12Z,15Z)[R])
Systematic Name
11R-hexadecanoyloxyoctadeca-9Z,12Z,15Z-trienoic acid
Synonyms
  • Mayolene-16
LM ID
LMFA07090148
Formula
C34H60O4
Exact Mass
Calculate m/z
532.44916
Sum Composition
FAHFA 34:3;O
Abbrev Chains
FAHFA 16:0/18:3;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Fatty acid estolides [FA0709]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pieris rapae (#64459)
Insecta (#50557)
Mayolenes: labile defensive lipids from the glandular hairs of a caterpillar (Pieris rapae).,
Proc Natl Acad Sci U S A, 2002
Pubmed ID: 11997469

String Representations

InChiKey (Click to copy)
XHGMWSVXYAFIMA-IPBGHUMISA-N
InChi (Click to copy)
InChI=1S/C34H60O4/c1-3-5-7-9-10-11-12-13-14-15-19-23-27-31-34(37)38-32(28-24-20-8-6-4-2)29-25-21-17-16-18-22-26-30-33(35)36/h6,8,24-25,28-29,32H,3-5,7,9-23,26-27,30-31H2,1-2H3,(H,35,36)/b8-6-,28-24-,29-25-/t32-/m0/s1
SMILES (Click to copy)
C(CCCCCCC/C=C\[C@@H](OC(CCCCCCCCCCCCCCC)=O)/C=C\C/C=C\CC)(=O)O

Other Databases

CHEBI ID
165678
PubChem CID
11203400

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 618.72
Topological Polar Surface Area 63.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 10.95
Molar Refractivity 162.99

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Created at
-
Updated at
14th Jun 2023