Structure Database (LMSD)

Common Name
FAHFA 16:1/32O(FA 32:1)
Systematic Name
25Z-32-(7Z-hexadecenoyloxy)dotriacontenoic acid
Synonyms
  • WE(32:1(9Z,32COOH)/16:1(7Z))
  • 32-carboxy-(henetriacont-7Z-enyl) 7Z-hexadecenoate
LM ID
LMFA07090161
Formula
C48H90O4
Exact Mass
Calculate m/z
730.68391
Sum Composition
FAHFA 48:2;O
Abbrev Chains
FAHFA 16:1/32:1;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
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)
VLYFGDFVNZDTJM-LBJSJSAUSA-N
InChi (Click to copy)
InChI=1S/C48H90O4/c1-2-3-4-5-6-7-8-26-30-33-36-39-42-45-48(51)52-46-43-40-37-34-31-28-25-23-21-19-17-15-13-11-9-10-12-14-16-18-20-22-24-27-29-32-35-38-41-44-47(49)50/h25-26,28,30H,2-24,27,29,31-46H2,1H3,(H,49,50)/b28-25-,30-26-
SMILES (Click to copy)
O=C(CCCCC/C=C\CCCCCCCC)OCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCCCCCC(O)=O

Other Databases

PubChem CID
137323835

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