(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4S,5R,6S)-4-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:156703)

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CHEBI:156703 - (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4S,5R,6S)-4-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

ChEBI ID	CHEBI:156703
ChEBI Name	(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4S,5R,6S)-4-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
Submitter	Gareth Owen
Downloads	Molfile

Formula	C40H66N2O32
Net Charge	0
Average Mass	1086.950
Monoisotopic Mass	1086.35987
SMILES	CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H]3O)[C@H]2O)(C(=O)O)C[C@@H]1O
WURCS	WURCS=2.0/3,5,4/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-2-3-3/a4-b1_b3-c1_b6-e2_c3-d2
InChI	InChI=1S/C40H66N2O32/c1-10(47)41-19-12(49)3-39(37(62)63,72-30(19)21(53)14(51)5-43)66-9-18-24(56)32(27(59)35(69-18)70-29-17(8-46)67-34(61)26(58)25(29)57)71-36-28(60)33(23(55)16(7-45)68-36)74-40(38(64)65)4-13(50)20(42-11(2)48)31(73-40)22(54)15(52)6-44/h12-36,43-46,49-61H,3-9H2,1-2H3,(H,41,47)(H,42,48)(H,62,63)(H,64,65)/t12-,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25+,26+,27+,28+,29+,30+,31+,32-,33-,34+,35-,36-,39+,40-/m0/s1
InChIKey	KSOCDOYOPIQFPF-HYGKVINRSA-N

ChEBI Ontology

Outgoing Relation(s)

(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4S,5R,6S)-4-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:156703) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)

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

Manual Xrefs	Databases
G05712GH	GlyTouCan