N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-3-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:151911)

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CHEBI:151911 - N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-3-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI ID	CHEBI:151911
ChEBI Name	N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-3-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
Submitter	Gareth Owen
Downloads	Molfile

Formula	C42H73N3O31
Net Charge	0
Average Mass	1116.036
Monoisotopic Mass	1115.42280
SMILES	CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](O)CO)O[C@@H]3CO)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCS	WURCS=2.0/3,6,5/[h2112h][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3-2-2-3/a3-b1_b4-c1_c3-d1_c6-e1_e4-f1
InChI	InChI=1S/C42H73N3O31/c1-11(52)43-21-28(61)25(58)16(6-48)68-39(21)76-37-27(60)20(10-67-38-22(44-12(2)53)29(62)35(18(8-50)70-38)74-41-32(65)31(64)26(59)17(7-49)69-41)72-42(33(37)66)75-36-19(9-51)71-40(23(30(36)63)45-13(3)54)73-34(15(56)5-47)24(57)14(55)4-46/h14-42,46-51,55-66H,4-10H2,1-3H3,(H,43,52)(H,44,53)(H,45,54)/t14-,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+,41+,42+/m1/s1
InChIKey	KDJPWJGGDPXPIF-OFBRYHKLSA-N

ChEBI Ontology

Outgoing Relation(s)

N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-3-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:151911) is a oligosaccharide (CHEBI:50699)

Manual Xrefs	Databases
G50091EW	GlyTouCan
G50091EW	GlyGen