CHEBI:34787 - heptanal

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ChEBI Name heptanal
ChEBI ID CHEBI:34787
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C7H14O
Net Charge 0
Average Mass 114.186
Monoisotopic Mass 114.104
InChI InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
InChIKey FXHGMKSSBGDXIY-UHFFFAOYSA-N
SMILES O=CCCCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
Roles Classification
Application(s): biomarker
A substance used as an indicator of a biological state.
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ChEBI Ontology
Outgoing heptanal (CHEBI:34787) has role biomarker (CHEBI:59163)
heptanal (CHEBI:34787) is a n-alkanal (CHEBI:12834)
heptanal (CHEBI:34787) is a saturated fatty aldehyde (CHEBI:133249)
IUPAC Name
heptanal
Synonyms Sources
aldehyde C-7 ChemIDplus
enanthal ChemIDplus
enanthaldehyde ChemIDplus
enanthic aldehyde ChemIDplus
heptaldehyde ChemIDplus
heptanal UniProt
heptanaldehyde ChemIDplus
heptyl aldehyde ChemIDplus
heptylaldehyde ChemIDplus
n-C6H13CHO NIST Chemistry WebBook
n-heptaldehyde ChemIDplus
n-Heptaldehyde KEGG COMPOUND
n-heptanal ChemIDplus
n-heptylaldehyde ChemIDplus
oenanthal ChemIDplus
oenanthaldehyde ChemIDplus
oenanthic aldehyde ChemIDplus
oenanthol ChemIDplus
Manual Xrefs Databases
C00034880 KNApSAcK
C14390 KEGG COMPOUND
Heptanal Wikipedia
HMDB0031475 HMDB
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Registry Numbers Types Sources
111-71-7 CAS Registry Number KEGG COMPOUND
111-71-7 CAS Registry Number NIST Chemistry WebBook
111-71-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
13684163 PubMed citation Europe PMC
13802512 PubMed citation Europe PMC
15556514 PubMed citation Europe PMC
20120041 PubMed citation Europe PMC
22626821 PubMed citation Europe PMC
24401388 PubMed citation Europe PMC
24421258 PubMed citation Europe PMC
28292517 PubMed citation Europe PMC
28366212 PubMed citation Europe PMC
29526787 PubMed citation Europe PMC
IND92060298 Agricola citation Europe PMC
Last Modified
10 April 2018