Structure Database (LMSD)

Common Name
9Z-Heptadecenal
Systematic Name
9Z-Heptadecenal
Synonyms
LM ID
LMFA06000228
Formula
C17H32O
Exact Mass
Calculate m/z
252.245316
Sum Composition
FAL 17:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Philanthus basilaris (#926288)
Insecta (#50557)
Chemistry of male mandibular gland secretions ofPhilanthus basilaris cresson andPhilanthus bicinctus (Mickel) (Hymenoptera: Sphecidae).,
J Chem Ecol, 1987
Pubmed ID: 24301802

String Representations

InChiKey (Click to copy)
HJEWKIMQTQIIIN-HJWRWDBZSA-N
InChi (Click to copy)
InChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h8-9,17H,2-7,10-16H2,1H3/b9-8-
SMILES (Click to copy)
C(CCCCCCC/C=C\CCCCCCC)(=O)[H]

Other Databases

PubChem CID
44256586

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 306.17
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.83
Molar Refractivity 80.90

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Created at
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Updated at
6th Jan 2025