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
Exact Mass
Calculate m/z
758.71521
Sum Composition
Abbrev Chains
FAHFA 18:1/32:1;O
Status
Curated
3D model of FAHFA 18:1/32O(FA 32:1)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Biological Context
FAHFA 18:1(9Z)/32-O-32:1(25Z) is an (O-acyl)-ω-hydroxy fatty acid (OAHFA) containing the monounsaturated fatty acid oleic acid and the very long-chain ω -hydroxy fatty acid 25(Z)-dotriacontenoic acid.1
This information has been provided by Cayman Chemical
References
1. Hancock, S.E., Ailuri, R., Marshall, D.L., et al. Mass spectrometry-directed structure elucidation and total synthesis of ultra-long chain (O-acyl)-ω-hydroxy fatty acids. J. Lipid Res. 59(8), 1510-1518 (2018).
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
J Lipid Res, 2018
Pubmed ID:
29907595
DOI:
10.1194/jlr.M086702
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
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
Admin
Created at
-
Updated at
14th Jun 2023