N-[(2S,3R,4R,5S,6R)-6-(Hydroxymethyl)-2-[(2R,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:154228)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:154228 - N-[(2S,3R,4R,5S,6R)-6-(Hydroxymethyl)-2-[(2R,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide

Take structure to advanced search

ChEBI ID	CHEBI:154228
ChEBI Name	N-[(2S,3R,4R,5S,6R)-6-(Hydroxymethyl)-2-[(2R,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
Stars
Submitter	Gareth Owen
Downloads	Molfile

Formula	C26H47NO20
Net Charge	0
Average Mass	693.649
Monoisotopic Mass	693.26914
SMILES	CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
WURCS	WURCS=2.0/4,4,3/[h1122h][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-3-4/a4-b1_b3-c1_b4-d1
InChI	InChI=1S/C26H47NO20/c1-7-14(35)17(38)19(40)25(42-7)47-23-13(27-8(2)32)24(45-21(10(34)4-29)15(36)9(33)3-28)44-12(6-31)22(23)46-26-20(41)18(39)16(37)11(5-30)43-26/h7,9-26,28-31,33-41H,3-6H2,1-2H3,(H,27,32)/t7-,9+,10+,11+,12+,13+,14+,15+,16-,17+,18-,19-,20+,21+,22+,23+,24-,25-,26-/m0/s1
InChIKey	SEJVJIPCHYABTR-CRCGJWPASA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3R,4R,5S,6R)-6-(Hydroxymethyl)-2-[(2R,3R,4R,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:154228) is a oligosaccharide (CHEBI:50699)

Manual Xrefs	Databases
G79245YF	GlyTouCan