8-[(Aminomethyl)sulfanyl]-6-sulfanyloctanoic acid (CHEBI:169109)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	8-[(Aminomethyl)sulfanyl]-6-sulfanyloctanoic acid

ChEBI ID	CHEBI:169109

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H19NO2S2

Net Charge

Average Mass

237.380

Monoisotopic Mass

237.08572

InChI

InChI=1S/C9H19NO2S2/c10-7-14-6-5-8(13)3-1-2-4-9(11)12/h8,13H,1-7,10H2,(H,11,12)

InChIKey

YNZQCBXDUUGFIX-UHFFFAOYSA-N

SMILES

SC(CCCCC(O)=O)CCSCN

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	8-[(Aminomethyl)sulfanyl]-6-sulfanyloctanoic acid (CHEBI:169109) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name

8-(aminomethylsulanyl)-6-sulanyloctanoic acid