Structure database (LMSD)

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LM IDLMFA04000049
Common Namedocosapentaenoic acid
Systematic Name2E,4E,6E,8E,10E-docosapentaenoic acid
SynonymsC22:5n-12,14,16,18,20
Exact Mass
330.2559 (neutral)    Calculate m/z:
FormulaC22H34O2
CategoryFatty Acyls [FA]
Main ClassDocosanoids [FA04]
Sub ClassOther Docosanoids [FA0400]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID6438348
HMDB IDHMDB01976
InChIKeyYEKFYCQGYMVFKR-MBFZXKRTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)2
4/h12-21H,2-11H2,1H3,(H,23,24)/b13-12+,15-14+,17-16+,19-18+,21-20+
SMILESC(=O)(O)/C=C/C=C/C=C/C=C/C=C/CCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
390.90Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.77Molar
Refractivity
105.18