N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:148673)

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CHEBI:148673 - N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI ID	CHEBI:148673
ChEBI Name	N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
Submitter	Gareth Owen
Downloads	Molfile

Formula	C54H93N3O39
Net Charge	0
Average Mass	1408.320
Monoisotopic Mass	1407.53862
SMILES	CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H](O[C@@H]([C@@H](O)[C@H](O)CO)[C@H](CO)NC(C)=O)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[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]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
WURCS	WURCS=2.0/4,8,7/[h2112h_2NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2NCC/3=O][a1221m-1a_1-5]/1-2-3-2-4-3-2-4/a3-b1_b3-c1_b6-f1_c3-d1_d2-e1_f4-g1_g2-h1
InChI	InChI=1S/C54H93N3O39/c1-13-27(68)35(76)39(80)50(84-13)95-46-37(78)30(71)20(8-60)87-53(46)92-43-23(11-63)89-48(25(34(43)75)56-16(4)65)83-12-24-33(74)45(41(82)52(90-24)91-42(29(70)19(67)7-59)18(6-58)55-15(3)64)94-49-26(57-17(5)66)44(32(73)22(10-62)86-49)93-54-47(38(79)31(72)21(9-61)88-54)96-51-40(81)36(77)28(69)14(2)85-51/h13-14,18-54,58-63,67-82H,6-12H2,1-5H3,(H,55,64)(H,56,65)(H,57,66)/t13-,14-,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+,43+,44+,45-,46+,47+,48+,49-,50-,51-,52-,53-,54-/m0/s1
InChIKey	UPZQFEWSVIOSCX-IYVAOVPRSA-N

ChEBI Ontology

Outgoing Relation(s)

N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:148673) is a oligosaccharide (CHEBI:50699)

Manual Xrefs	Databases
G23560WQ	GlyTouCan
G23560WQ	GlyGen