(2S,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-Acetamido-6-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:156947)

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CHEBI:156947 - (2S,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-Acetamido-6-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

ChEBI ID	CHEBI:156947
ChEBI Name	(2S,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-Acetamido-6-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
Submitter	Gareth Owen
Downloads	Molfile

Formula	C45H77N3O34
Net Charge	0
Average Mass	1204.098
Monoisotopic Mass	1203.43885
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](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](CO)NC(C)=O)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[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
WURCS	WURCS=2.0/5,6,5/[h2112h_2NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5NCCO/3=O][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-5-2/a3-b1_a6-d1_b3-c2_d3-e1_d4-f1
InChI	InChI=1S/C45H77N3O34/c1-12-25(61)30(66)32(68)41(74-12)80-38-24(47-14(3)56)40(77-21(9-53)36(38)79-42-33(69)31(67)28(64)19(7-51)75-42)73-11-18(59)27(63)35(15(5-49)46-13(2)55)78-43-34(70)39(29(65)20(8-52)76-43)82-45(44(71)72)4-16(57)23(48-22(60)10-54)37(81-45)26(62)17(58)6-50/h12,15-21,23-43,49-54,57-59,61-70H,4-11H2,1-3H3,(H,46,55)(H,47,56)(H,48,60)(H,71,72)/t12-,15-,16-,17+,18+,19+,20+,21+,23+,24+,25+,26+,27-,28-,29-,30+,31-,32-,33+,34+,35+,36+,37+,38+,39-,40+,41-,42-,43-,45-/m0/s1
InChIKey	BFLLIRIIWKNNMH-QVJWJXLNSA-N

ChEBI Ontology

Outgoing Relation(s)

(2S,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-Acetamido-6-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:156947) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)

Manual Xrefs	Databases
G93696JX	GlyGen
G93696JX	GlyTouCan