Structure database (LMSD)

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LM IDLMFA01020367
Common Name16:3(2E,10E,12E)(3Me,5Me[R],7My,15Me)
Systematic Name3,5R,15-trimethyl-7-methylene-2E,10E,12E-hexadecatrienoic acid
Synonyms-
Exact Mass
304.2402 (neutral)    Calculate m/z:
FormulaC20H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 20:4
PubChem CID52921782
InChIKeyXQIKRXUJLGQAKM-DNIQSHCLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O2/c1-16(2)11-9-7-6-8-10-12-17(3)13-18(4)14-19(5)15-20(21)22/h6-9,15-16,18H,3,10-14H2,1-2,4-5H3,(H,21,22)/b8-6+,9-7+,19-15+/t18-/m1/s1
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SMILES
C(/C=C(\C)/C[C@H](C)CC(=C)CC/C=C/C=C/CC(C)C)(=O)O
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StatusActive
ReferencesMultibranched polyunsaturated and very-long-chain
fatty acids of freshwater Israeli sponges.
Rezanka, T. and Dembitsky, V.M., 2002
J. Nat. Prod. 65, pp. 709-713
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
358.94Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.93Molar
Refractivity
95.90