Structure Database (LMSD)

Common Name
Trichodiene
Systematic Name
Synonyms
LM ID
LMPR0103180001
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Trichothecane sesquiterpenoids [PR010318]

String Representations

InChiKey (Click to copy)
YFLSTROSSKYYNK-CABCVRRESA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-12-7-10-14(3,11-8-12)15(4)9-5-6-13(15)2/h7H,2,5-6,8-11H2,1,3-4H3/t14-,15+/m1/s1
SMILES (Click to copy)
[C@]1(C)(CCCC1=C)[C@]1(C)CC=C(C)CC1

Other Databases

KEGG ID
C01860
CHEBI ID
15861
PubChem CID
114857

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 2
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 238.06
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.87
Molar Refractivity 66.81

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Updated at
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