N-[(3R,4R,5S,6R)-2-[(2R,3R,4S,5R)-6-[(3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:153228)

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CHEBI:153228 - N-[(3R,4R,5S,6R)-2-[(2R,3R,4S,5R)-6-[(3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]acetamide

ChEBI ID	CHEBI:153228
ChEBI Name	N-[(3R,4R,5S,6R)-2-[(2R,3R,4S,5R)-6-[(3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]acetamide
Stars
Submitter	Gareth Owen
Downloads	Molfile

Formula	C40H68N2O30
Net Charge	0
Average Mass	1056.968
Monoisotopic Mass	1056.38569
SMILES	CC(=O)N[C@H]1C(O[C@@H]2[C@H](O)[C@@H](OC3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)C(O[C@H]3[C@@H](O)[C@@H](CO)OC(O)[C@@H]3NC(C)=O)O[C@@H]2CO)O[C@H](CO)[C@@H](OC2O[C@H](COC3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCS	WURCS=2.0/6,6,5/[a2112h-1x_1-5_2NCC/3=O][a2112h-1x_1-5][a1221m-1x_1-5][a2122h-1x_1-5_2NCC/3=O][a2122h-1x_1-5][a1122h-1x_1-5]/1-2-3-4-5-6/a3-b1_b2-c1_b4-d1_d4-e1_e6-f1
InChI	InChI=1S/C40H68N2O30/c1-9-19(49)24(54)28(58)38(63-9)72-34-30(60)32(15(7-46)67-40(34)71-33-18(42-11(3)48)35(61)64-13(5-44)22(33)52)69-36-17(41-10(2)47)23(53)31(14(6-45)66-36)70-39-29(59)26(56)21(51)16(68-39)8-62-37-27(57)25(55)20(50)12(4-43)65-37/h9,12-40,43-46,49-61H,4-8H2,1-3H3,(H,41,47)(H,42,48)/t9-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23+,24+,25-,26-,27-,28-,29+,30-,31+,32-,33+,34+,35?,36?,37?,38?,39?,40?/m0/s1
InChIKey	DWVCCEZUNIDXIQ-AWJKZCKQSA-N

ChEBI Ontology

Outgoing Relation(s)

N-[(3R,4R,5S,6R)-2-[(2R,3R,4S,5R)-6-[(3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:153228) is a amino sugar (CHEBI:28963)

Synonyms	Source
D-manno-hexopyranosyl-(1->6)-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-L-galacto-hexopyranosyl-(1->2)]-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galacto-hexopyranose	SUBMITTER
Man(?1-6)Glc(?1-4)GlcNAc(?1-4)[Fuc(?1-2)]Gal(?1-3)GalNAc	SUBMITTER

Manual Xrefs	Databases
G71845ZB	GlyTouCan