(2R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-4-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:156816)

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CHEBI:156816 - (2R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-4-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-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:156816
ChEBI Name	(2R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-4-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-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]1C(O)O[C@H](CO[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
WURCS	WURCS=2.0/3,4,3/[a2112h-1x_1-5_2NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5NCCO/3=O]/1-2-2-3/a3-b1_a6-d2_b4-c1
InChI	InChI=1S/C31H52N2O25/c1-8(38)32-16-25(57-29-23(48)21(46)24(12(5-36)55-29)56-28-22(47)20(45)18(43)11(4-35)54-28)19(44)13(53-27(16)49)7-52-31(30(50)51)2-9(39)15(33-14(41)6-37)26(58-31)17(42)10(40)3-34/h9-13,15-29,34-37,39-40,42-49H,2-7H2,1H3,(H,32,38)(H,33,41)(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	QXTSCFKHQGHFNX-HBWZWURQSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-4-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:156816) is a neuraminic acids (CHEBI:25508)

Synonyms	Source
beta-D-galacto-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->3)-[3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranose	SUBMITTER
Gal(b1-4)Gal(b1-3)[NeuGc(a2-6)]GalNAc	SUBMITTER

Manual Xrefs	Databases
G04082SK	GlyTouCan