Structure database (LMSD)

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LM IDLMFA01031159
Common Name4Z,7Z,9E,11E,13Z-hexadecapentaenoic acid
Systematic Name(4Z,7Z,9E,11E,13Z)-hexadeca-(4,7,9,11,13)-pentaenoic acid
Synonyms-
Exact Mass
246.1620 (neutral)    Calculate m/z:
FormulaC16H22O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
AbbrevFA 16:5
PubChem CID-
InChIKeySCKGVDPVUFEODH-APKWISMUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-10,12-13H,2,11,14-15H2,1H3,(H,17,18)/b4-3-,6-5+,8-7+,10-9-,13-12-
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SMILES
C(=C/C/C=C\C=C\C=C\C=C/CC)/CCC(=O)O
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StatusActive
ReferencesStructure and biosynthesis of novel conjugated polyene fatty acids from the marine green alga Anadyomene stellata. Marina V. Mikhailova, Debra L. Bemis, Mitchell L. Wise, William H. Gerwick, James N. Norris and Robert S. Jacobs.Lipids. Volume 30, Issue 7, 1995, pp 583–589.

https://link.springer.com/article/10.1007/BF02536993
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
287.10Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.43Molar
Refractivity
77.48