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

ChEBI IDCHEBI:169109
ChEBI Name8-[(Aminomethyl)sulfanyl]-6-sulfanyloctanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H19NO2S2
Net Charge0
Average Mass237.390
Monoisotopic Mass237.08572
SMILESNCSCCC(S)CCCCC(=O)O
InChIInChI=1S/C9H19NO2S2/c10-7-14-6-5-8(13)3-1-2-4-9(11)12/h8,13H,1-7,10H2,(H,11,12)
InChIKeyYNZQCBXDUUGFIX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
8-[(Aminomethyl)sulfanyl]-6-sulfanyloctanoic acid (CHEBI:169109) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
8-(aminomethylsulanyl)-6-sulanyloctanoic acid
Manual XrefsDatabases
35032770ChemSpider
HMDB0013639HMDB