Structure Database (LMSD)

Common Name
18:1(5Z)(9Me,13Me,17Me)
Systematic Name
9,13,17-trimethyl-5Z-octadecenoic acid
Synonyms
LM ID
LMPR0103010015
Formula
C21H40O2
Exact Mass
Calculate m/z
324.30283
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lubomirskia baikalensis (#289074)
Demospongiae (#6042)
Lipid compounds of freshwater sponges: family Spongillidae, class Demospongiae.,
Chem Phys Lipids, 2003
Pubmed ID: 12691847

String Representations

InChiKey (Click to copy)
ZVEKMLFVHJFZON-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C21H40O2/c1-18(2)12-10-14-20(4)16-11-15-19(3)13-8-6-5-7-9-17-21(22)23/h5-6,18-20H,7-17H2,1-4H3,(H,22,23)/b6-5-
SMILES (Click to copy)
C(CCC/C=C\CCC(C)CCCC(C)CCCC(C)C)(=O)O

Other Databases

PubChem CID
52929809

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 384.16
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.85
Molar Refractivity 100.73

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Updated at
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