CHEBI:9780 - Turgorin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Turgorin
ChEBI ID CHEBI:9780
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C13H15O13S
Net Charge -1
Average Mass 411.317
Monoisotopic Mass 411.02389
InChI InChI=1S/C13H16O13S/c14-5-1-4(12(19)20)2-6(15)11(5)26-13-10(18)9(17)8(16)7(25-13)3-24-27(21,22)23/h1-2,7-10,13-18H,3H2,(H,19,20)(H,21,22,23)/p-1/t7-,8-,9+,10-,13+/m1/s1
InChIKey PCNPDUJUHNLVNS-YANYRWCTSA-M
SMILES O[C@H]1[C@H](O)[C@@H](COS([O-])(=O)=O)O[C@@H](Oc2c(O)cc(cc2O)C(O)=O)[C@@H]1O
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 Turgorin (CHEBI:9780) is a trihydroxybenzoic acid (CHEBI:27115)
Synonym Source
Turgorin KEGG COMPOUND
Manual Xrefs Databases
C00002679 KNApSAcK
C10837 KEGG COMPOUND
View more database links
Registry Number Type Source
80220-30-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014