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CHEBI:34787 - heptanal

Default Structure
ChEBI IDCHEBI:34787
ChEBI Nameheptanal
Stars
DefinitionAn n-alkanal resulting from the oxidation of the alcoholic hydroxy group of heptan-1-ol to the corresponding aldehyde. An endogenous aldehyde coming from membrane lipid oxidation, it is found in the blood of lung cancer patients and has been regarded as a potential biomarker of lung cancer.
Last Modified4 March 2019
DownloadsMolfile
FormulaC7H14O
Net Charge0
Average Mass114.188
Monoisotopic Mass114.10447
SMILESCCCCCCC=O
InChIInChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
InChIKeyFXHGMKSSBGDXIY-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
faeces (UBERON:0001988) PubMed (23454028)
saliva (UBERON:0001836) PubMed (24421258)
blood (UBERON:0000178) PubMed (22626821)
Roles Classification
Application:
biomarker  A substance used as an indicator of a biological state.
ChEBI Ontology
Outgoing Relation(s)
heptanal (CHEBI:34787) has role biomarker (CHEBI:59163)
heptanal (CHEBI:34787) is a n-alkanal (CHEBI:12834)
heptanal (CHEBI:34787) is a medium-chain fatty aldehyde (CHEBI:142621)
heptanal (CHEBI:34787) is a saturated fatty aldehyde (CHEBI:133249)
IUPAC Name 
heptanal
Synonyms  Source
aldehyde C-7ChemIDplus
enanthalChemIDplus
enanthaldehydeChemIDplus
enanthic aldehydeChemIDplus
heptaldehydeChemIDplus
heptanaldehydeChemIDplus
UniProt Name  Source
heptanalUniProt
Manual XrefsDatabases
C00034880KNApSAcK
C14390KEGG COMPOUND
HeptanalWikipedia
HMDB0031475HMDB
Registry NumbersSources
CAS:111-71-7KEGG COMPOUND
CAS:111-71-7ChemIDplus
CAS:111-71-7NIST Chemistry WebBook
Citations