(2E)-7-Cyanohept-2-en-4,6-diynoic acid (CHEBI:185077)

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CHEBI:185077 - (2E)-7-Cyanohept-2-en-4,6-diynoic acid

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ChEBI ID	CHEBI:185077
ChEBI Name	(2E)-7-Cyanohept-2-en-4,6-diynoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C8H3NO2
Net Charge	0
Average Mass	145.117
Monoisotopic Mass	145.01638
SMILES	N#CC#CC#C/C=C/C(=O)O
InChI	InChI=1S/C8H3NO2/c9-7-5-3-1-2-4-6-8(10)11/h4,6H,(H,10,11)/b6-4+
InChIKey	DMGKNZBGIHCAMP-GQCTYLIASA-N

Species of Metabolite	Component	Source	Comments
Bos taurus (ncbitaxon:9913)	spermatozoon (BTO:0001277)	MetaboLights (MTBLS1071)	Strain: Holstein [LBO:0000132]

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	(2E)-7-Cyanohept-2-en-4,6-diynoic acid (CHEBI:185077) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(E)-7-cyanohept-2-en-4,6-diynoic acid

Manual Xrefs	Databases
HMDB0031004	HMDB
4938371	ChemSpider

Registry Numbers	Sources
CAS:463-15-0	ChemIDplus