N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-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-2-yl]oxy-2,3,5,6-tetrahydroxyhexoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:152014)

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CHEBI:152014 - N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-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-2-yl]oxy-2,3,5,6-tetrahydroxyhexoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

ChEBI ID	CHEBI:152014
ChEBI Name	N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-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-2-yl]oxy-2,3,5,6-tetrahydroxyhexoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Stars
Submitter	Gareth Owen
Downloads	Molfile

Formula	C40H70N2O30
Net Charge	0
Average Mass	1058.984
Monoisotopic Mass	1058.40134
SMILES	CC(=O)N[C@H]1[C@H](OC[C@@H](O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)CO)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=2.0/4,6,5/[h2112h][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3-4-2-3/a3-b1_a6-e1_b4-c1_c2-d1_e4-f1
InChI	InChI=1S/C40H70N2O30/c1-10-21(52)27(58)30(61)38(64-10)72-35-29(60)24(55)16(6-45)66-40(35)71-34-18(8-47)68-37(20(26(34)57)42-12(3)49)69-32(13(50)4-43)22(53)14(51)9-63-36-19(41-11(2)48)25(56)33(17(7-46)67-36)70-39-31(62)28(59)23(54)15(5-44)65-39/h10,13-40,43-47,50-62H,4-9H2,1-3H3,(H,41,48)(H,42,49)/t10-,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	GAHTYTHJHKACNZ-NIEQSYEPSA-N

ChEBI Ontology

Outgoing Relation(s)

N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-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-2-yl]oxy-2,3,5,6-tetrahydroxyhexoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:152014) is a oligosaccharide (CHEBI:50699)

Manual Xrefs	Databases
G51168CH	GlyTouCan
G51168CH	GlyGen