CHEBI:62916 - soyasaponin I(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name soyasaponin I(1−)
ChEBI ID CHEBI:62916
ChEBI ASCII Name soyasaponin I(1-)
Definition The monocarboxylic acid anion formed from soyasaponin I. It is the major microspecies present at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C48H77O18
Net Charge -1
Average Mass 942.11420
Monoisotopic Mass 941.51154
InChI InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)/p-1/t21-,23-,24+,25+,26+,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1
InChIKey PTDAHAWQAGSZDD-IOVCITQVSA-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@@H]4O[C@@H](C)[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 I(1−) (CHEBI:62916) is a carbohydrate acid derivative anion (CHEBI:63551)
soyasaponin I(1−) (CHEBI:62916) is a monocarboxylic acid anion (CHEBI:35757)
soyasaponin I(1−) (CHEBI:62916) is conjugate base of soyasaponin I (CHEBI:9211)
Incoming soyasaponin I (CHEBI:9211) is conjugate acid of soyasaponin I(1−) (CHEBI:62916)
Synonym Source
soyasaponin I UniProt
Manual Xref Database
CPD-13255 MetaCyc
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Last Modified
11 January 2012