brassinolide 23-O-alpha-D-glucoside (CHEBI:133468)

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CHEBI:133468 - brassinolide 23-O-α-D-glucoside

ChEBI ID	CHEBI:133468
ChEBI Name	brassinolide 23-O-α-D-glucoside
Stars
ASCII Name	brassinolide 23-O-alpha-D-glucoside
Definition	A brassinosteroid that is brassinolide carrying an α-D-glucosyl residue at position O-23.
Last Modified	13 March 2017
Submitter	Keeva
Downloads	Molfile

Formula	C34H58O11
Net Charge	0
Average Mass	642.827
Monoisotopic Mass	642.39791
SMILES	[H][C@@]12COC(=O)[C@@]3([H])C[C@H](O)[C@H](O)C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](C)C(C)C
InChI	InChI=1S/C34H58O11/c1-15(2)16(3)30(45-32-29(41)28(40)27(39)25(13-35)44-32)26(38)17(4)19-7-8-20-18-14-43-31(42)22-11-23(36)24(37)12-34(22,6)21(18)9-10-33(19,20)5/h15-30,32,35-41H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25+,26+,27+,28-,29+,30+,32+,33+,34+/m0/s1
InChIKey	ZGXCUMDOLQMEFX-WHNRJDMXSA-N

Species of Metabolite	Component	Source	Comments
Arabidopsis thaliana (ncbitaxon:3702)	-	MetaboLights (MTBLS129)

Roles Classification

Biological Roles:

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	brassinolide 23-O-α-D-glucoside (CHEBI:133468) has functional parent brassinolide (CHEBI:28277)
	brassinolide 23-O-α-D-glucoside (CHEBI:133468) has role plant metabolite (CHEBI:76924)
	brassinolide 23-O-α-D-glucoside (CHEBI:133468) is a 22-hydroxy steroid (CHEBI:36863)
	brassinolide 23-O-α-D-glucoside (CHEBI:133468) is a 2α-hydroxy steroid (CHEBI:36858)
	brassinolide 23-O-α-D-glucoside (CHEBI:133468) is a 3α-hydroxy steroid (CHEBI:36835)
	brassinolide 23-O-α-D-glucoside (CHEBI:133468) is a brassinosteroid (CHEBI:22921)
	brassinolide 23-O-α-D-glucoside (CHEBI:133468) is a steroid saponin (CHEBI:61655)
	brassinolide 23-O-α-D-glucoside (CHEBI:133468) is a α-D-glucoside (CHEBI:22390)

IUPAC Name
(2S,3R,4R,5S)-2-[(3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-5,6-dihydroxy-7a,9a-dimethyl-3-oxohexadecahydro-1H-benzo[c]indeno[5,4-e]oxepin-10-yl]-3-hydroxy-5,6-dimethylheptan-4-yl α-D-glucopyranoside

Synonyms	Source
brassinolide 23-O-α-glucoside	ChEBI
brassinolide-23-O-glucoside	MetaCyc
brassinolide 23-O-glucoside	ChEBI

Manual Xrefs	Databases
brassinolide-23-O-glucoside	MetaCyc