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CHEBI:147434 - pantetheine sulfonate

ChEBI IDCHEBI:147434
ChEBI Namepantetheine sulfonate
Stars
Submittermwilliams
DownloadsMolfile
FormulaC11H22N2O7S2
Net Charge0
Average Mass358.438
Monoisotopic Mass358.08684
SMILESCC(C)(CO)C(O)C(=O)NCCC(=O)NCCSS(=O)(=O)O
InChIInChI=1S/C11H22N2O7S2/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-21-22(18,19)20/h9,14,16H,3-7H2,1-2H3,(H,12,15)(H,13,17)(H,18,19,20)
InChIKeyXZYZGXXLESEEBE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Vitis vinifera (ncbitaxon:29760) Wine (NCIT:C66822) DOI (10.1007/s11306-014-0638-x)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
pantetheine sulfonate (CHEBI:147434) is a S-alkyl thiosulfate (CHEBI:29289)
pantetheine sulfonate (CHEBI:147434) is a dipeptide (CHEBI:46761)