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CHEBI:62911 - soyasaponin III(1−)

ChEBI IDCHEBI:62911
ChEBI Namesoyasaponin III(1−)
Stars
ASCII Namesoyasaponin III(1-)
DefinitionThe monocarboxylic acid anion formed by removal of a proton from the carboxy group of soyasaponin III. It is the major microspecies present at pH 7.3.
Last Modified11 January 2012
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC42H67O14
Net Charge-1
Average Mass795.984
Monoisotopic Mass795.45363
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)C[C@@H](O)[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@]1(C)CO
InChIInChI=1S/C42H68O14/c1-37(2)16-21-20-8-9-24-39(4)12-11-26(40(5,19-44)23(39)10-13-42(24,7)41(20,6)15-14-38(21,3)25(45)17-37)54-36-33(30(49)29(48)32(55-36)34(51)52)56-35-31(50)28(47)27(46)22(18-43)53-35/h8,21-33,35-36,43-50H,9-19H2,1-7H3,(H,51,52)/p-1/t21-,22+,23+,24+,25+,26-,27-,28-,29-,30-,31+,32-,33+,35-,36+,38+,39-,40+,41+,42+/m0/s1
InChIKeyOKIHRVKXRCAJFQ-AHBDIROXSA-M
ChEBI Ontology
Outgoing Relation(s)
soyasaponin III(1−) (CHEBI:62911) is a carbohydrate acid derivative anion (CHEBI:63551)
soyasaponin III(1−) (CHEBI:62911) is a monocarboxylic acid anion (CHEBI:35757)
soyasaponin III(1−) (CHEBI:62911) is conjugate base of soyasaponin III (CHEBI:62867)
Incoming Relation(s)
soyasaponin III (CHEBI:62867) is conjugate acid of soyasaponin III(1−) (CHEBI:62911)
UniProt Name  Source
soyasaponin IIIUniProt