Structure Database (LMSD)

Common Name
FAHFA 16:0/9O(FA 16:0)
Systematic Name
9-hexadecanoyloxy-hexadecanoic acid
Synonyms
  • 9-PAHPA
LM ID
LMFA07090036
Formula
C32H62O4
Exact Mass
Calculate m/z
510.46481
Sum Composition
FAHFA 32:0;O
Abbrev Chains
FAHFA 16:0/16:0;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]

String Representations

InChiKey (Click to copy)
DPFVDUJFYPYAOO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C32H62O4/c1-3-5-7-9-10-11-12-13-14-15-16-21-25-29-32(35)36-30(26-22-18-8-6-4-2)27-23-19-17-20-24-28-31(33)34/h30H,3-29H2,1-2H3,(H,33,34)
SMILES (Click to copy)
C(CCCCCCC(=O)O)C(OC(CCCCCCCCCCCCCCC)=O)CCCCCCC

Other Databases

HMDB ID
HMDB0112110
PubChem CID
126457340
Cayman ID
17038

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 592.04
Topological Polar Surface Area 63.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 10.84
Molar Refractivity 154.03

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Created at
-
Updated at
14th Jun 2023