(2S,3S,4S,5R,6S)-6-[(2R,3R,4S,5S)-4,5-diacetyloxy-2-[(2R,3R,4R,5R,6S)-5-hydroxy-6-[(2R,3R,4S)-4-hydroxy-2-[(1R)-1-hydroxyethyl]pyrrolidin-3-yl]oxy-2-(hydroxymethyl)-4-methoxyoxan-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:206275)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:206275 - (2S,3S,4S,5R,6S)-6-[(2R,3R,4S,5S)-4,5-diacetyloxy-2-[(2R,3R,4R,5R,6S)-5-hydroxy-6-[(2R,3R,4S)-4-hydroxy-2-[(1R)-1-hydroxyethyl]pyrrolidin-3-yl]oxy-2-(hydroxymethyl)-4-methoxyoxan-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Take structure to advanced search

ChEBI ID	CHEBI:206275
ChEBI Name	(2S,3S,4S,5R,6S)-6-[(2R,3R,4S,5S)-4,5-diacetyloxy-2-[(2R,3R,4R,5R,6S)-5-hydroxy-6-[(2R,3R,4S)-4-hydroxy-2-[(1R)-1-hydroxyethyl]pyrrolidin-3-yl]oxy-2-(hydroxymethyl)-4-methoxyoxan-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H45NO20
Net Charge	0
Average Mass	715.655
Monoisotopic Mass	715.25349
SMILES	CO[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H]([C@@H](C)O)NC[C@@H]2O)O[C@H](CO)[C@H]1O[C@H]1OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
WURCS	WURCS=2.0/3,3,2/[a2122h-1a_1-5_1OC^RC^RC^RC/5O/4NCC^S$3/10O_3OC][a211h-1b_1-5_3OCC/3=O_4OCC/3=O][a2122A-1a_1-5]/1-2-3/a4-b1_b2-c1
InChI	InChI=1S/C28H45NO20/c1-8(31)14-19(11(34)5-29-14)46-27-18(38)22(41-4)20(12(6-30)45-27)47-28-24(21(44-10(3)33)13(7-42-28)43-9(2)32)49-26-17(37)15(35)16(36)23(48-26)25(39)40/h8,11-24,26-31,34-38H,5-7H2,1-4H3,(H,39,40)/t8-,11+,12-,13+,14-,15+,16+,17-,18-,19+,20-,21+,22-,23+,24-,26-,27-,28-/m1/s1
InChIKey	JGEFYCVFLNZUPI-WIJLQIQXSA-N

Species of Metabolite	Component	Source	Comments
Anabaenaspecies (ncbitaxon:1167)	-	PubMed (16562836)

ChEBI Ontology

Outgoing Relation(s)
	(2S,3S,4S,5R,6S)-6-[(2R,3R,4S,5S)-4,5-diacetyloxy-2-[(2R,3R,4R,5R,6S)-5-hydroxy-6-[(2R,3R,4S)-4-hydroxy-2-[(1R)-1-hydroxyethyl]pyrrolidin-3-yl]oxy-2-(hydroxymethyl)-4-methoxyoxan-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:206275) is a oligosaccharide (CHEBI:50699)

IUPAC Name
(2S,3S,4S,5R,6S)-6-[(2R,3R,4S,5S)-4,5-diacetyloxy-2-[(2R,3R,4R,5R,6S)-5-hydroxy-6-[(2R,3R,4S)-4-hydroxy-2-[(1R)-1-hydroxyethyl]pyrrolidin-3-yl]oxy-2-(hydroxymethyl)-4-methoxyoxan-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Manual Xrefs	Databases
9760481	ChemSpider