HTS 01037 (CHEBI:186187)

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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	HTS 01037

ChEBI ID	CHEBI:186187

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H11NO5S2

Net Charge

Average Mass

337.360

Monoisotopic Mass

337.00786

InChI

InChI=1S/C14H11NO5S2/c1-20-14(19)13-8(15-11(16)4-5-12(17)18)7-10(22-13)9-3-2-6-21-9/h2-7H,1H3,(H,15,16)(H,17,18)/b5-4+

InChIKey

GJODSFZNKNHKML-SNAWJCMRSA-N

SMILES

S1C(=CC(NC(=O)/C=C/C(O)=O)=C1C(OC)=O)C=2SC=CC2

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	HTS 01037 (CHEBI:186187) is a ring assembly (CHEBI:36820) HTS 01037 (CHEBI:186187) is a thiophenes (CHEBI:26961)

IUPAC Name

(E)-4-[(2-methoxycarbonyl-5-thiophen-2-ylthiophen-3-yl)amino]-4-oxobut-2-enoic acid