CHEBI:62911 - soyasaponin III(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name soyasaponin III(1−)
ChEBI ID CHEBI:62911
ChEBI ASCII Name soyasaponin III(1-)
Definition The 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C42H67O14
Net Charge -1
Average Mass 795.97300
Monoisotopic Mass 795.45363
InChI InChI=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
InChIKey OKIHRVKXRCAJFQ-AHBDIROXSA-M
SMILES [H][C@@]12CC(C)(C)C[C@@H](O)[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C([O-])=O)[C@](C)(CO)[C@]3([H])CC[C@@]12C
ChEBI Ontology
Outgoing 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 soyasaponin III (CHEBI:62867) is conjugate acid of soyasaponin III(1−) (CHEBI:62911)
Synonym Source
soyasaponin III UniProt
Last Modified
11 January 2012