(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R)-5-acetamido-3-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-4,6-dihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:153307)

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CHEBI:153307 - (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R)-5-acetamido-3-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-4,6-dihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure

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ChEBI ID	CHEBI:153307
ChEBI Name	(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R)-5-acetamido-3-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-4,6-dihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
Submitter	Gareth Owen
Downloads	Molfile

Formula	C31H52N2O24
Net Charge	0
Average Mass	836.747
Monoisotopic Mass	836.29100
SMILES	CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](OC[C@H]3OC(O)[C@H](NC(C)=O)[C@@H](O)[C@@H]3O[C@@H]3O[C@@H]([C@H](O)CO)[C@H](O)[C@H]3O)[C@@H]2O)(C(=O)O)C[C@@H]1O
WURCS	WURCS=2.0/4,4,3/[a2122h-1x_1-5_2NCC/3=O][a2112h-1b_1-4][a2112h-1b_1-5][Aad21122h-2a_2-6_5NCC/3=O]/1-2-3-4/a4-b1_a6-c1_c3-d2
InChI	InChI=1S/C31H52N2O24/c1-8(37)32-15-10(39)3-31(30(49)50,56-25(15)17(42)11(40)4-34)57-26-18(43)13(6-36)53-28(22(26)47)51-7-14-24(19(44)16(27(48)52-14)33-9(2)38)55-29-21(46)20(45)23(54-29)12(41)5-35/h10-29,34-36,39-48H,3-7H2,1-2H3,(H,32,37)(H,33,38)(H,49,50)/t10-,11+,12+,13+,14+,15+,16+,17+,18-,19+,20+,21+,22+,23-,24+,25+,26-,27?,28+,29-,31-/m0/s1
InChIKey	VZNYADXOUIWDRG-VHNOATOASA-N

ChEBI Ontology

Outgoing Relation(s)
	(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R)-5-acetamido-3-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-4,6-dihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:153307) is a neuraminic acids (CHEBI:25508)

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

Manual Xrefs	Databases
G72301HA	GlyGen
G72301HA	GlyTouCan