Structure database (LMSD)

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LM IDLMFA01020381
Common Name17:4(2E,4E,9E,11E)(8Me[R],10Me,15Me[R])
Systematic Name8R,10,15R-trimethyl-2E,4E,9E,11E-heptadecatetraenoic 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 CID52921794
InChIKeyKVMAVNKSYPGPGY-LOFSKYOMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O2/c1-5-17(2)12-10-11-14-19(4)16-18(3)13-8-6-7-9-15-20(21)22/h6-7,9,11,14-18H,5,8,10,12-13H2,1-4H3,(H,21,22)/b7-6+,14-11+,15-9+,19-16+/t17-,18-/m1/s1
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SMILES
C(/C=C/C=C/CC[C@@H](C)/C=C(\C)/C=C/CC[C@H](C)CC)(=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