Structure Database (LMSD)

Common Name
4-Methyl-7,11-heptadecadienal
Systematic Name
4-methyl-7Z,11Z-heptadecadienal
Synonyms
LM ID
LMFA06000271
Formula
C18H32O
Exact Mass
Calculate m/z
264.245315
Sum Composition
FAL 18:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Moesziomyces rugulosus (#84752)
Ustilaginomycetes (#5257)
4-Methyl-7,11-heptadecadienal and 4-methyl-7,11-heptadecadienoic acid: new antibiotics from Sporothrix flocculosa and Sporothrix rugulosa.,
J Nat Prod, 1994
Pubmed ID: 7931361

String Representations

InChiKey (Click to copy)
BXUVLPDAJOPHFD-MQEUWQHPSA-N
InChi (Click to copy)
InChI=1S/C18H32O/c1-3-4-5-6-7-8-9-10-11-12-13-15-18(2)16-14-17-19/h7-8,11-12,17-18H,3-6,9-10,13-16H2,1-2H3/b8-7-,12-11-
SMILES (Click to copy)
C(CCC(C)CC/C=C\CC/C=C\CCCCC)(=O)[H]

Other Databases

PubChem CID
10400609

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 320.83
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.85
Molar Refractivity 85.35

Admin

Created at
22nd Apr 2020
Updated at
22nd Apr 2020