Structure database (LMSD)

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LM IDLMFA05000011
Common NamePersin (W)
Systematic Name1-acetoxy-2-hydroxy-12Z,15Z-heneicosadien-4-one
Synonyms1-acetoxy-2-hydroxy-heneicosa-12Z,15Z-dien-4-one; (Z,Z)-1-(acetoxy)-2-hydroxy-
12,15-heneicosadien-4-one
Exact Mass
380.2927 (neutral)    Calculate m/z:
FormulaC23H40O4
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID5283266
HMDB IDHMDB0041103
InChIKeyIBDVBNUJEGRVQN-NQLNTKRDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C23H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-23(26)20-
27-21(2)24/h7-8,10-11,23,26H,3-6,9,12-20H2,1-2H3/b8-7-,11-10-
SMILESC(C/C=C\C/C=C\CCCCC)CCCCCC(=O)CC(O)COC(=O)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings0Aromatic Rings0Rotatable Bonds19
 van der Waals
Molecular Volume
431.06Topological Polar
Surface Area
63.60Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP6.25Molar
Refractivity
112.62