Structure database (LMSD)

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LM IDLMFA01140099
Common Name-
Systematic Name17-methyl-trans-4,5-methyleneoctadecanoic acid
Synonyms-
Exact Mass
310.2872 (neutral)    Calculate m/z:
FormulaC20H38O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
AbbrevFA 20:1
PubChem CID49871720
InChIKeyMLUVGOHIKYMWQZ-OALUTQOASA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H38O2/c1-17(2)12-10-8-6-4-3-5-7-9-11-13-18-16-19(18)14-15-20(21)22/h17-19H,3-16H2,1-2H3,(H,21,22)/t18-,19-/m0/s1
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SMILES
C(CC[C@@]1([H])C[C@]1([H])CCCCCCCCCCCC(C)C)(=O)O
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StatusActive
ReferencesNovel cyclopropane fatty acids from the phospholipids of the Caribbean sponge Pseudospongosorites suberitoides.
Lipids, 2007
DOI: 10.1007/s11745-007-3047-3
PMID: 17520308
Calculated physicochemical properties (?):
 Heavy Atoms22Rings1Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
357.14Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.43Molar
Refractivity
94.09