(2S,4S,5R,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:157154)

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CHEBI:157154 - (2S,4S,5R,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure

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ChEBI ID	CHEBI:157154
ChEBI Name	(2S,4S,5R,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
Submitter	Gareth Owen
Downloads	Molfile

Formula	C31H52N2O25
Net Charge	0
Average Mass	852.746
Monoisotopic Mass	852.28592
SMILES	CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]3[C@H](O[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O4)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCS	WURCS=2.0/3,4,3/[a2112h-1b_1-5][Aad21122h-2a_2-6_5NCCO/3=O][a2122h-1a_1-5_2NCC/3=O]/1-2-1-3/a3-b2_a4-c1_c4-d1
InChI	InChI=1S/C31H52N2O25/c1-8(39)32-16-19(45)18(44)11(4-35)53-28(16)55-23-12(5-36)54-29(21(47)20(23)46)56-24-13(6-37)52-27(49)22(48)26(24)58-31(30(50)51)2-9(40)15(33-14(42)7-38)25(57-31)17(43)10(41)3-34/h9-13,15-29,34-38,40-41,43-49H,2-7H2,1H3,(H,32,39)(H,33,42)(H,50,51)/t9-,10+,11+,12+,13+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25+,26+,27+,28+,29-,31-/m0/s1
InChIKey	WQIISQKKQVCHGU-BUSHYDCESA-N

ChEBI Ontology

Outgoing Relation(s)
	(2S,4S,5R,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:157154) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)

Synonyms	Source
2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->4)-[3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)]-beta-D-galacto-hexopyranose	SUBMITTER
GlcNAc(a1-4)Gal(b1-4)[NeuGc(a2-3)]b-Gal	SUBMITTER

Manual Xrefs	Databases
G25037DU	GlyTouCan