SCHEMBL9567921 (CHEBI:185515)

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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	SCHEMBL9567921

ChEBI ID	CHEBI:185515

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C4H6O8S

Net Charge

Average Mass

214.140

Monoisotopic Mass

213.97834

InChI

InChI=1S/C4H6O8S/c5-3(6)1-2(4(7)8)12-13(9,10)11/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11)

InChIKey

NEDXTJCJRKUSGT-UHFFFAOYSA-N

SMILES

S(OC(CC(O)=O)C(O)=O)(O)(=O)=O

Metabolite of Species	Details
Bos taurus (NCBI:txid9913)	Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study

ChEBI Ontology
Outgoing	SCHEMBL9567921 (CHEBI:185515) is a alkyl sulfate (CHEBI:29281) SCHEMBL9567921 (CHEBI:185515) is a fatty acid derivative (CHEBI:61697)

IUPAC Name

2-sulooxybutanedioic acid