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Quality
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Receptors

Compound Summary

General Compound Information

heptanal

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Description

Heptanal is 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. It has a role as a biomarker. It is a saturated fatty aldehyde, a n-alkanal and a medium-chain fatty aldehyde.

Synonyms

Heptanal; Heptaldehyde; 111-71-7; Enanthaldehyde; n-Heptaldehyde;

Enanthal;N-HEPTANAL;Heptyl aldehyde;Oenanthaldehyde;Heptanaldehyde;n-Heptylaldehyde;Oenanthal;Oenanthol;Enanthic aldehyde;Oenanthic aldehyde;Enanthole;Aldehyde C-7;Heptylaldehyde;1-Heptanal;FEMA No. 2540;1-Heptaldehyde;n-C6H13CHO;NSC 2190;heptan-1-al;CHEMBL18104;DTXSID0021597;CHEBI:34787;92N104S3HF;NSC-2190;Heptanal (natural);DTXCID601597;FEMA Number 2541;CAS-111-71-7;CCRIS 6041;HSDB 6026;EINECS 203-898-4;UN3056;BRN 1560236;Oenanthole;UNII-92N104S3HF;AI3-02066;MFCD00007028;Heptaldehyde, 95%;HEPTANAL [FHFI];HEPTANAL [FCC];HEPTANAL [MI];n-Heptaldehyde [UN3056] [Flammable liquid];N-HEPTANAL [HSDB];EC 203-898-4;WLN: VH6;SCHEMBL22542;BIDD:ER0302;FEMA 2540;Heptaldehyde, analytical standard;HEPTANAL (ALDEHYDE C-7);NSC2190;Heptanal, >=95%, FCC, FG;STR02180;ZINC1577197;Tox21_202173;Tox21_302779;BDBM50028829;LMFA06000001;STL453624;AKOS000121137;Heptaldehyde, technical, >=95% (GC);NCGC00091807-01;NCGC00091807-02;NCGC00256491-01;NCGC00259722-01;DB-041000;H0025;EN300-24060;n-Heptaldehyde [UN3056] [Flammable liquid];A802402;Q425827;J-002620;J-521429;F2190-0613;

FlavorDB ID

2591

PUBCHEM ID

8130

Molecular Weight

114.19

Molecular Formula

C7H14O

Openeye Can Smiles

CCCCCCC=O

IUPAC Inchikey

FXHGMKSSBGDXIY-UHFFFAOYSA-N

Network

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Similarity

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Compound Classification

Classification (Parent Nodes)

ClassyFire Ontology

Compound Quality

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell	fishy, oily		water	details
smell	fishy, oily	2.629e-2 µmol/L	water	details

Compound Toxicity and Food Additive Safety (OFAS)

Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database

Food Additive Safety (OFAS)
HEPTANAL is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report.

Receptors

Receptor information of this compound is not available!

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive