Structure Database (LMSD)

O OH O O
Common Name
FAHFA 18:1/30O(FA 30:1)
Systematic Name
23Z-30-(9Z-octadecenoyloxy)triacontenoic acid
Synonyms
  • WE(30:1(7Z,30COOH)/18:1(9Z)
  • 30-carboxy-(nonacosa-7Z-enyl) oleate
  • 30-carboxy-(nonacosa-7Z-enyl) 9Z-octadecenoate
LM ID
LMFA07090158
Formula
C48H90O4
Exact Mass
Calculate m/z
730.68391
Sum Composition
FAHFA 48:2;O
Abbrev Chains
FAHFA 18:1/30:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

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]

String Representations

InChiKey (Click to copy)
SWHCUTORUNJHSL-NQKHLBLLSA-N
InChi (Click to copy)
InChI=1S/C48H90O4/c1-2-3-4-5-6-7-8-9-23-27-30-33-36-39-42-45-48(51)52-46-43-40-37-34-31-28-25-22-20-18-16-14-12-10-11-13-15-17-19-21-24-26-29-32-35-38-41-44-47(49)50/h9,23,25,28H,2-8,10-22,24,26-27,29-46H2,1H3,(H,49,50)/b23-9-,28-25-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCCCC)OCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCCCC(O)=O

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

Other Databases

PubChem CID
137323832

Calculated Physicochemical Properties

Heavy Atoms 52
Rings 0
Aromatic Rings 0
Rotatable Bonds 45
Van der Waals Molecular Volume 863.56
Topological Polar Surface Area 63.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 16.64
Molar Refractivity 227.72

Admin

Created at
-
Updated at
14th Jun 2023