Structure Database (LMSD)

Common Name
15:6(2Z,4E,6Z,8E,12E,14)(6Me,8Me,10Me[S],13Me)
Systematic Name
6,8,10S,13-tetramethyl-2Z,4E,6Z,8E,12E,14E-pentadecahexaenoic acid
Synonyms
LM ID
LMFA01020371
Formula
C19H26O2
Exact Mass
Calculate m/z
286.19328
Sum Composition
FA 19:6
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
Ephydatia syriaca (#1191330)
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)
SKOXKKRJJGFOTR-UYBOVOCXSA-N
InChi (Click to copy)
InChI=1S/C19H26O2/c1-6-15(2)11-12-17(4)14-18(5)13-16(3)9-7-8-10-19(20)21/h6-11,13-14,17H,1,12H2,2-5H3,(H,20,21)/b9-7+,10-8-,15-11+,16-13-,18-14+/t17-/m0/s1
SMILES (Click to copy)
C(/C=C\C=C\C(\C)=C/C(/C)=C/[C@@H](C)C/C=C(\C)/C=C)(=O)O

Other Databases

CHEBI ID
196589
PubChem CID
52921786

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 336.36
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.23
Molar Refractivity 91.16

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Updated at
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