Structure database (LMSD)

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LM IDLMFA07090013
Common NameFAHFA(18:0/10-O-18:0)
Systematic Name10-octadecanoyloxy-octadecanoic acid
Synonyms10-SAHSA
Exact Mass
566.5274 (neutral)    Calculate m/z:
FormulaC36H70O4
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassFatty acid estolides [FA0709]
AbbrevFAHFA 36:1;O
Abbrev ChainsFAHFA 18:0/10-O-18:0
PubChem CID101527491
HMDB IDHMDB0112131
CAYMAN ID19976
InChIKeyKARVIOOFYPUCOA-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C36H70O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-25-29-33-36(39)40-34(30-26-22-10-8-6-4-2)31-27-23-20-21-24-28-32-35(37)38/h34H,3-33H2,1-2H3,(H,37,38)
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SMILES
C(CCCCCCCC(=O)O)C(OC(CCCCCCCCCCCCCCCCC)=O)CCCCCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms40Rings0Aromatic Rings0Rotatable Bonds34
 van der Waals
Molecular Volume
661.24Topological Polar
Surface Area
63.60Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP12.40Molar
Refractivity
172.50