(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R)-5-acetamido-2-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:148683)

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CHEBI:148683 - (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R)-5-acetamido-2-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

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ChEBI ID	CHEBI:148683
ChEBI Name	(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R)-5-acetamido-2-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
Submitter	Gareth Owen
Downloads	Molfile

Formula	C33H55N3O27S
Net Charge	0
Average Mass	957.864
Monoisotopic Mass	957.27436
SMILES	CC(=O)N[C@H]1[C@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O
WURCS	WURCS=2.0/4,4,3/[a2112h-1x_1-5_2NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5NCC/3=O][a2122h-1b_1-5_2NCC/3=O_6OSO/3=O/3=O]/1-2-3-4/a3-b1_a6-d1_b6-c2
InChI	InChI=1S/C33H55N3O27S/c1-9(38)34-17-12(41)4-33(32(51)52,63-28(17)20(43)13(42)5-37)57-7-15-22(45)25(48)26(49)31(61-15)62-27-19(36-11(3)40)29(50)59-14(23(27)46)6-56-30-18(35-10(2)39)24(47)21(44)16(60-30)8-58-64(53,54)55/h12-31,37,41-50H,4-8H2,1-3H3,(H,34,38)(H,35,39)(H,36,40)(H,51,52)(H,53,54,55)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23-,24+,25-,26+,27+,28+,29?,30+,31-,33+/m0/s1
InChIKey	UEXSIYYNCCECNS-JAUXDMPJSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R)-5-acetamido-2-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:148683) is a oligosaccharide sulfate (CHEBI:37909)

Synonyms	Source
NeuAc(a2-6)Gal(b1-3)[GlcNAc6S(b1-6)]GalNAc	SUBMITTER
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-6-O-sulfo-beta-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranose	SUBMITTER

Manual Xrefs	Databases
G23580VC	GlyTouCan
G23580VC	GlyGen