Structure database (LMSD)

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LM IDLMFA01020356
Common Name20:0(12Me)
Systematic Name12-methyl-eicosanoic acid
Synonyms-
Exact Mass
326.3185 (neutral)    Calculate m/z:
FormulaC21H42O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
AbbrevFA 21:0
PubChem CID15736271
InChIKeyJVVZDRRHSOSMPH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C21H42O2/c1-3-4-5-6-11-14-17-20(2)18-15-12-9-7-8-10-13-16-19-21(22)23/h20H,3-19H2,1-2H3,(H,22,23)
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SMILES
C(CCCCCCCCCCC(C)CCCCCCCC)(=O)O
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StatusActive
ReferencesPhospholipid fatty acids and sterols of two Cinachyrella sponges
from the Saudi Arabian Red Sea:
comparison with Cinachyrella species from other origins
G> Barnathan et al.
Comparative Biochemistry and Physiology
Part B: Biochemistry and Molecular Biology
Volume 135, Issue 2, June 2003, Pages 297-308
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds18
 van der Waals
Molecular Volume
386.80Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.36Molar
Refractivity
100.96