Structure Database (LMSD)

Common Name
3Z-hexenal
Systematic Name
3Z-hexenal
Synonyms
LM ID
LMFA06000110
Formula
C6H10O
Exact Mass
Calculate m/z
98.073165
Sum Composition
FAL 6:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View NP-MRD ID(NMR) spectrum

Classification

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

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Psidium guajava (#120290)
Magnoliopsida (#3398)
The "heterolytic hydroperoxide lyase" is an isomerase producing a short-lived fatty acid hemiacetal.,
Biochim Biophys Acta, 2004
Pubmed ID: 14984738

String Representations

InChiKey (Click to copy)
GXANMBISFKBPEX-ARJAWSKDSA-N
InChi (Click to copy)
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-
SMILES (Click to copy)
C(C/C=C\CC)=O

Other Databases

KEGG ID
C16310
HMDB ID
HMDB0031498
CHEBI ID
23292
PubChem CID
643941

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 115.87
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 1.54
Molar Refractivity 30.11

Admin

Created at
-
Updated at
2nd Jan 2025