(2S,4S,5R,6R)-2-[(1S,2R)-1-[(2R,3R,4S,6S)-3-Acetamido-6-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4R,5R,6S)-4-[(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-5-amino-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-carboxy-4-hydroxyoxan-2-yl]-1,3-dihydroxypropan-2-yl]oxy-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-5-amino-4-hydroxyoxane-2-carboxylic acid (CHEBI:151719)

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CHEBI:151719 - (2S,4S,5R,6R)-2-[(1S,2R)-1-[(2R,3R,4S,6S)-3-Acetamido-6-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4R,5R,6S)-4-[(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-5-amino-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-carboxy-4-hydroxyoxan-2-yl]-1,3-dihydroxypropan-2-yl]oxy-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-5-amino-4-hydroxyoxane-2-carboxylic acid

ChEBI ID	CHEBI:151719
ChEBI Name	(2S,4S,5R,6R)-2-[(1S,2R)-1-[(2R,3R,4S,6S)-3-Acetamido-6-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4R,5R,6S)-4-[(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-5-amino-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-carboxy-4-hydroxyoxan-2-yl]-1,3-dihydroxypropan-2-yl]oxy-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-5-amino-4-hydroxyoxane-2-carboxylic acid
Stars
Submitter	Gareth Owen
Downloads	Molfile

Formula	C70H113N5O53
Net Charge	0
Average Mass	1872.656
Monoisotopic Mass	1871.63007
SMILES	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]4(C(=O)O)C[C@H](O)[C@@H](N)[C@H]([C@H](O)[C@H](O)COC(C)=O)O4)O3)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]3(C(=O)O)C[C@H](O)[C@@H](N)[C@H]([C@H](O)[C@H](O)COC(C)=O)O3)O2)[C@H]1O
WURCS	WURCS=2.0/5,8,7/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5NCC/3=O][Aad21122h-2a_2-6_5N_9OCC/3=O][a2112h-1b_1-5_2NCC/3=O]/1-2-3-4-5-2-3-4/a4-b1_b3-c2_b4-e1_c8-d2_e3-f1_f3-g2_g8-h2
InChI	InChI=1S/C70H113N5O53/c1-18(82)73-37-25(89)8-69(65(108)109,125-55(37)44(97)31(12-78)121-67(63(104)105)6-23(87)35(71)52(123-67)40(93)27(91)16-112-21(4)85)127-57-43(96)30(11-77)116-61(48(57)101)120-54-39(75-20(3)84)60(115-29(10-76)42(54)95)119-51-34(15-81)117-62(118-50-33(14-80)114-59(103)47(100)46(50)99)49(102)58(51)128-70(66(110)111)9-26(90)38(74-19(2)83)56(126-70)45(98)32(13-79)122-68(64(106)107)7-24(88)36(72)53(124-68)41(94)28(92)17-113-22(5)86/h23-62,76-81,87-103H,6-17,71-72H2,1-5H3,(H,73,82)(H,74,83)(H,75,84)(H,104,105)(H,106,107)(H,108,109)(H,110,111)/t23-,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+,50+,51-,52+,53+,54+,55+,56+,57-,58+,59+,60-,61-,62-,67+,68+,69-,70-/m0/s1
InChIKey	HCBCLAZUQZKXGE-UUEDUGPRSA-N

ChEBI Ontology

Outgoing Relation(s)

(2S,4S,5R,6R)-2-[(1S,2R)-1-[(2R,3R,4S,6S)-3-Acetamido-6-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4R,5R,6S)-4-[(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-5-amino-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-carboxy-4-hydroxyoxan-2-yl]-1,3-dihydroxypropan-2-yl]oxy-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-5-amino-4-hydroxyoxane-2-carboxylic acid (CHEBI:151719) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)

Synonyms	Source
9-O-acetyl-5-amino-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-[9-O-acetyl-5-amino-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)]-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose	SUBMITTER
Neu9Ac(a2-8)NeuAc(a2-3)Gal(b1-3)GalNAc(b1-4)[Neu9Ac(a2-8)NeuAc(a2-3)]Gal(b1-4)b-Glc	SUBMITTER

Synonyms

Source

9-O-acetyl-5-amino-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-[9-O-acetyl-5-amino-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)]-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose

SUBMITTER

Neu9Ac(a2-8)NeuAc(a2-3)Gal(b1-3)GalNAc(b1-4)[Neu9Ac(a2-8)NeuAc(a2-3)]Gal(b1-4)b-Glc

SUBMITTER

Manual Xrefs	Databases
G53446FI	GlyTouCan
G53446FI	GlyGen