CHEBI:58912 - ternatin C5(2−)

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ChEBI Name ternatin C5(2−)
ChEBI ID CHEBI:58912
ChEBI ASCII Name ternatin C5(2-)
Definition Dianion of ternatin C5 arising from deprotonation of the malonyl carboxy and 5-and 7- hydroxy groups.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C36H40O25
Net Charge -2
Average Mass 872.68780
Monoisotopic Mass 872.18696
InChI InChI=1S/C36H42O25/c37-7-18-24(45)27(48)30(51)34(59-18)56-15-1-10(2-16(23(15)44)57-35-31(52)28(49)25(46)19(8-38)60-35)33-17(5-12-13(40)3-11(39)4-14(12)55-33)58-36-32(53)29(50)26(47)20(61-36)9-54-22(43)6-21(41)42/h1-5,18-20,24-32,34-38,45-53H,6-9H2,(H3-,39,40,41,42,44)/p-2/t18-,19-,20-,24-,25-,26-,27+,28+,29+,30-,31-,32-,34-,35-,36-/m1/s1
InChIKey WTWWJFYJOBVFTF-KTEHMMPASA-L
SMILES OC[C@H]1O[C@@H](Oc2cc(cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2O)-c2[o+]c3cc([O-])cc([O-])c3cc2O[C@@H]2O[C@H](COC(=O)CC([O-])=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing ternatin C5(2−) (CHEBI:58912) is a monocarboxylic acid anion (CHEBI:35757)
ternatin C5(2−) (CHEBI:58912) is conjugate base of ternatin C5 (CHEBI:55335)
Incoming ternatin C5 (CHEBI:55335) is conjugate acid of ternatin C5(2−) (CHEBI:58912)
IUPAC Name
2-[3,5-bis(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-5,7-dioxidochromenium-3-yl 6-O-(carboxylatoacetyl)-β-D-glucopyranoside
Synonyms Sources
ternatin C5 UniProt
ternatin C5 dianion ChEBI
Last Modified
01 May 2017