Structure Database (LMSD)

Common Name
FAHFA 18:1/32O(FA 32:1)
Systematic Name
25Z-32-(9Z-octadecenoyloxy)dotriacontenoic acid
Synonyms
  • WE(32:1(7Z,32COOH)/18:1(9Z))
  • 32-carboxy-(hentriacont-7Z-enyl) 9Z-octadecenoate
  • 32-carboxy-(hentriacont-7Z-enyl) oleate
LM ID
LMFA07090155
Formula
C50H94O4
Exact Mass
Calculate m/z
758.71521
Sum Composition
FAHFA 50:2;O
Abbrev Chains
FAHFA 18:1/32:1;O
Status
Curated
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
Homo sapiens (#9606)
Mammalia (#40674)
Mass spectrometry-directed structure elucidation and total synthesis of ultra-long chain (O-acyl)-ω-hydroxy fatty acids.,
J Lipid Res, 2018
Pubmed ID: 29907595

String Representations

InChiKey (Click to copy)
DYSYKEBACZYSTK-JGUNHABRSA-N
InChi (Click to copy)
InChI=1S/C50H94O4/c1-2-3-4-5-6-7-8-9-25-29-32-35-38-41-44-47-50(53)54-48-45-42-39-36-33-30-27-24-22-20-18-16-14-12-10-11-13-15-17-19-21-23-26-28-31-34-37-40-43-46-49(51)52/h9,25,27,30H,2-8,10-24,26,28-29,31-48H2,1H3,(H,51,52)/b25-9-,30-27-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCCCC)OCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCCCCCC(O)=O

Other Databases

PubChem CID
137323829
Cayman ID
37879

Calculated Physicochemical Properties

Heavy Atoms 54
Rings 0
Aromatic Rings 0
Rotatable Bonds 47
Van der Waals Molecular Volume 898.16
Topological Polar Surface Area 63.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 17.42
Molar Refractivity 236.95

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Created at
-
Updated at
14th Jun 2023