Structure Database (LMSD)

Common Name
16:4(2E,4E,8E,10E)(7Me[R],9Me,14Me[R])
Systematic Name
7R,9,14R-trimethyl-2E,4E,8E,10E-hexadecatetraenoic acid
Synonyms
LM ID
LMFA01020370
Formula
C19H30O2
Exact Mass
Calculate m/z
290.22458
Sum Composition
FA 19:4
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cortispongilla barroisi (#756340)
Demospongiae (#6042)
Multibranched polyunsaturated and very-long-chain fatty acids of freshwater Israeli sponges.,
J Nat Prod, 2002
Pubmed ID: 12027746

String Representations

InChiKey (Click to copy)
AHLLEVZDNYBWMJ-SCSFZPQPSA-N
InChi (Click to copy)
InChI=1S/C19H30O2/c1-5-16(2)11-9-10-13-18(4)15-17(3)12-7-6-8-14-19(20)21/h6-8,10,13-17H,5,9,11-12H2,1-4H3,(H,20,21)/b7-6+,13-10+,14-8+,18-15+/t16-,17-/m1/s1
SMILES (Click to copy)
C(/C=C/C=C/C[C@@H](C)/C=C(\C)/C=C/CC[C@H](C)CC)(=O)O

Other Databases

CHEBI ID
193385
PubChem CID
52921785

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 341.64
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.54
Molar Refractivity 91.28

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Updated at
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