rebaudioside B(1-) (CHEBI:145013)

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CHEBI:145013 - rebaudioside B(1−)

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ChEBI ID	CHEBI:145013
ChEBI Name	rebaudioside B(1−)
Stars
ASCII Name	rebaudioside B(1-)
Definition	A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of rebaudioside B. The major species at pH 7.3.
Last Modified	6 March 2024
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C38H59O18
Net Charge	-1
Average Mass	803.872
Monoisotopic Mass	803.37069
SMILES	[H][C@]12CC[C@]34CC(=C)[C@](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)(CC[C@@]3([H])[C@]1(C)CCC[C@@]2(C)C(=O)[O-])C4
InChI	InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-48H,1,4-15H2,2-3H3,(H,49,50)/p-1/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27-,28-,29+,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1
InChIKey	DRSKVOAJKLUMCL-MMUIXFKXSA-M

ChEBI Ontology

Outgoing Relation(s)
	rebaudioside B(1−) (CHEBI:145013) is a carbohydrate acid derivative anion (CHEBI:63551)
	rebaudioside B(1−) (CHEBI:145013) is a monocarboxylic acid anion (CHEBI:35757)
	rebaudioside B(1−) (CHEBI:145013) is conjugate base of rebaudioside B (CHEBI:229537)
Incoming Relation(s)
	rebaudioside B (CHEBI:229537) is conjugate acid of rebaudioside B(1−) (CHEBI:145013)

IUPAC Name
13α-{[β-D-glucopyranosyl-(1→2)-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl]oxy}-5β,8α,9β,10α-kaur-16-en-18-oate

Synonyms	Source
rebaudioside B anion	ChEBI
stevioside a4(1−)	ChEBI

UniProt Name	Source
rebaudioside B	UniProt

Manual Xrefs	Databases
CPD-14507	MetaCyc

Citations