[(2R,3S,4R,5R)-5-Acetamido-6-[[(2R,3R,4R,5R)-5-acetamido-4-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:152943)

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CHEBI:152943 - [(2R,3S,4R,5R)-5-Acetamido-6-[[(2R,3R,4R,5R)-5-acetamido-4-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate

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ChEBI ID	CHEBI:152943
ChEBI Name	[(2R,3S,4R,5R)-5-Acetamido-6-[[(2R,3R,4R,5R)-5-acetamido-4-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate
Stars
Submitter	Gareth Owen
Downloads	Molfile

Formula	C34H58N2O28S
Net Charge	0
Average Mass	974.891
Monoisotopic Mass	974.28968
SMILES	CC(=O)N[C@H]1C(OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](OC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3OC3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2O)O[C@H](COS(=O)(=O)O)[C@@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCS	WURCS=2.0/4,5,4/[a2112h-1x_1-5_2NCC/3=O][a2112h-1x_1-5][a1221m-1x_1-5][a2122h-1x_1-5_2NCC/3=O_6*OSO/3=O/3=O]/1-2-3-4-2/a3-b1_a6-d1_b2-c1_d4-e1
InChI	InChI=1S/C34H58N2O28S/c1-8-17(41)22(46)25(49)32(57-8)64-29-24(48)19(43)12(5-38)60-34(29)63-28-16(36-10(3)40)30(51)58-13(20(28)44)6-55-31-15(35-9(2)39)21(45)27(14(61-31)7-56-65(52,53)54)62-33-26(50)23(47)18(42)11(4-37)59-33/h8,11-34,37-38,41-51H,4-7H2,1-3H3,(H,35,39)(H,36,40)(H,52,53,54)/t8-,11+,12+,13+,14+,15+,16+,17+,18-,19-,20-,21+,22+,23-,24-,25-,26+,27+,28+,29+,30?,31?,32?,33?,34?/m0/s1
InChIKey	MKMIOZXMXARQKY-UDKVBWOBSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(2R,3S,4R,5R)-5-Acetamido-6-[[(2R,3R,4R,5R)-5-acetamido-4-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:152943) is a oligosaccharide sulfate (CHEBI:37909)

Synonyms	Source
Fuc(?1-2)Gal(?1-3)[Gal(?1-4)GlcNAc6S(?1-6)]GalNAc	SUBMITTER
6-deoxy-L-galacto-hexopyranosyl-(1->2)-D-galacto-hexopyranosyl-(1->3)-[D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfo-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranose	SUBMITTER

Manual Xrefs	Databases
G64813IY	GlyTouCan
G64813IY	GlyGen