(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-4-[(3R,4S,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:153456)

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CHEBI:153456 - (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-4-[(3R,4S,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

ChEBI ID	CHEBI:153456
ChEBI Name	(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-4-[(3R,4S,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
Submitter	Gareth Owen
Downloads	Molfile

Formula	C51H85N3O38
Net Charge	0
Average Mass	1348.224
Monoisotopic Mass	1347.48111
SMILES	CC(=O)N[C@@H]1[C@@H](OC2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](CO[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)O[C@@H]1O
WURCS	WURCS=2.0/7,7,6/[a2112h-1a_1-5_2NCC/3=O][a2112h-1x_1-5][a1221m-1a_1-5][a2122h-1b_1-5_2NCC/3=O][a2122h-1a_1-5][a1122h-1a_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-5-6-7/a3-b1_a6-g2_b2-c1_b4-d1_d4-e1_e6-f1
InChI	InChI=1S/C51H85N3O38/c1-12-26(64)32(70)36(74)47(82-12)91-43-38(76)40(88-45-24(53-14(3)60)31(69)39(19(8-57)85-45)89-48-37(75)34(72)29(67)21(87-48)10-80-46-35(73)33(71)28(66)18(7-56)84-46)20(9-58)86-49(43)90-41-25(54-15(4)61)44(77)83-22(30(41)68)11-81-51(50(78)79)5-16(62)23(52-13(2)59)42(92-51)27(65)17(63)6-55/h12,16-49,55-58,62-77H,5-11H2,1-4H3,(H,52,59)(H,53,60)(H,54,61)(H,78,79)/t12-,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+,43+,44-,45-,46-,47-,48+,49?,51+/m0/s1
InChIKey	PYUYDCLJEFLOLU-BTNWBOPLSA-N

ChEBI Ontology

Outgoing Relation(s)

(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-4-[(3R,4S,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:153456) is a neuraminic acids (CHEBI:25508)

Synonyms	Source
alpha-D-manno-hexopyranosyl-(1->6)-alpha-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)]-D-galacto-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose	SUBMITTER
Man(a1-6)Glc(a1-4)GlcNAc(b1-4)[Fuc(a1-2)]Gal(?1-3)[NeuAc(a2-6)]a-GalNAc	SUBMITTER

Manual Xrefs	Databases
G73128RS	GlyTouCan