Structure database (LMSD)

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LM IDLMFA01150002
Common NameFuranoid acid - F6
Systematic Name12,15-epoxy-13,14-dimethyl-12,14-eicosadienoic acid
Synonyms11-(3,4-dimethyl-5-pentylfuran-2-yl)-undecanoic acid
Exact Mass
350.2821 (neutral)    Calculate m/z:
FormulaC22H38O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHeterocyclic fatty acids [FA0115]
Alternative ClassesUnsaturated fatty acids[FA0103], Branched fatty acids[FA0102]
PubChem CID13963867
HMDB IDHMDB0031126
CAYMAN ID9003082
InChIKeyMCTXSZNBSIMKTO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H38O3/c1-4-5-12-15-20-18(2)19(3)21(25-20)16-13-10-8-6-7-9-11-14-17-2
2(23)24/h4-17H2,1-3H3,(H,23,24)
SMILESC(O)(=O)CCCCCCCCCCC1OC(CCCCC)=C(C)C=1C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings1Aromatic Rings1Rotatable Bonds15
 van der Waals
Molecular Volume
384.35Topological Polar
Surface Area
50.44Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP6.77Molar
Refractivity
104.30