CHEBI:191134 - S-(2,3,4-trihydroxybutyl)mercapturic acid

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ChEBI Name S-(2,3,4-trihydroxybutyl)mercapturic acid
ChEBI ID CHEBI:191134
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H17NO6S
Net Charge 0
Average Mass 267.300
Monoisotopic Mass 267.07766
InChI InChI=1S/C9H17NO6S/c1-5(12)10-6(9(15)16)3-17-4-8(14)7(13)2-11/h6-8,11,13-14H,2-4H2,1H3,(H,10,12)(H,15,16)/t6-,7?,8?/m0/s1
InChIKey QGRUOXFPDCTBCA-KKMMWDRVSA-N
SMILES S(CC(O)C(O)CO)C[C@H](NC(=O)C)C(O)=O
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in INS-1 cell (BTO:0002135). 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing S-(2,3,4-trihydroxybutyl)mercapturic acid (CHEBI:191134) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name
(2R)-2-acetamido-3-(2,3,4-trihydroxybutylsulanyl)propanoic acid
Manual Xref Database
23976987 ChemSpider
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