CHEBI:34787 - heptanal

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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. Supplier Information ChemicalBook:CB2309387, eMolecules:478562, ZINC000031500905 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Valeric acid or pentanoic acid is a straight-chain alkyl carboxylic acid with the chemical formula CH3(CH2)3COOH. Like other low-molecular-weight carboxylic acids, it has an unpleasant odor. It is found in the perennial flowering plant Valeriana officinalis, from which it gets its name. Its primary use is in the synthesis of its esters. Salts and esters of valeric acid are known as valerates or pentanoates. Volatile esters of valeric acid tend to have pleasant odors and are used in perfumes and cosmetics. Several, including ethyl valerate and pentyl valerate are used as food additives because of their fruity flavors. Read full article at Wikipedia Formula C7H14O Net Charge 0 Average Mass 114.186 Monoisotopic Mass 114.10447 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. View more via ChEBI Ontology 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 medium-chain fatty aldehyde (CHEBI:142621) 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 View more database links 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 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 04 March 2019