(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R)-5-acetamido-6-[(3S,4S,5S,6R)-2-[[(2R,3R,4S,5S)-6-[(2R,3R,4R,5S)-5-acetamido-4-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-6-methyl-4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,2,6-trihydroxyhexan-3-yl]oxy-4-[(2R,3S,4S,5S,6R)-3,5-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:151598)

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CHEBI:151598 - (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R)-5-acetamido-6-[(3S,4S,5S,6R)-2-[[(2R,3R,4S,5S)-6-[(2R,3R,4R,5S)-5-acetamido-4-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-6-methyl-4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,2,6-trihydroxyhexan-3-yl]oxy-4-[(2R,3S,4S,5S,6R)-3,5-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

ChEBI ID	CHEBI:151598
ChEBI Name	(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R)-5-acetamido-6-[(3S,4S,5S,6R)-2-[[(2R,3R,4S,5S)-6-[(2R,3R,4R,5S)-5-acetamido-4-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-6-methyl-4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,2,6-trihydroxyhexan-3-yl]oxy-4-[(2R,3S,4S,5S,6R)-3,5-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-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	C97H163N5O71
Net Charge	0
Average Mass	2535.335
Monoisotopic Mass	2533.92979
SMILES	CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O[C@H]3[C@H](O)[C@@H](COC4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4OC4O[C@H](CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@@H](O[C@@H]5O[C@H](CO[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)OC(O[C@@H]([C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@H](CO)NC(C)=O)[C@H](O)CO)[C@H]3O)O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)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
WURCS	WURCS=2.0/8,14,13/[h2122h_2NCC/3=O][a1221m-1a_1-5][a1122h-1x_1-5][a1122h-1a_1-5][a2122h-1b_1-5_2NCC/3=O][a2112h-1b_1-5][a2122h-1x_1-5_2NCC/3=O][Aad21122h-2a_2-6_5NCC/3=O]/1-2-2-3-4-5-6-5-6-3-7-6-8-2/a3-b1_a4-d1_b3-c1_d3-e1_d6-j1_e2-f1_e4-h1_f4-g1_h4-i1_j2-k1_k4-l1_k6-n1_l6-m2
InChI	InChI=1S/C97H163N5O71/c1-22-47(120)59(132)65(138)87(151-22)148-20-42-78(168-91-69(142)63(136)54(127)41(161-91)21-150-97(96(146)147)9-31(117)43(99-26(5)113)79(173-97)50(123)32(118)11-104)58(131)46(102-29(8)116)86(162-42)171-82-64(137)53(126)36(15-108)156-94(82)149-19-40-55(128)81(72(145)93(160-40)164-74(33(119)12-105)73(30(10-103)98-25(4)112)163-92-71(144)80(49(122)24(3)153-92)169-88-66(139)60(133)48(121)23(2)152-88)170-95-83(172-85-45(101-28(7)115)57(130)76(38(17-110)158-85)167-90-68(141)62(135)52(125)35(14-107)155-90)70(143)77(39(18-111)159-95)165-84-44(100-27(6)114)56(129)75(37(16-109)157-84)166-89-67(140)61(134)51(124)34(13-106)154-89/h22-24,30-95,103-111,117-145H,9-21H2,1-8H3,(H,98,112)(H,99,113)(H,100,114)(H,101,115)(H,102,116)(H,146,147)/t22-,23-,24-,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-,63-,64-,65-,66-,67+,68+,69+,70-,71-,72-,73+,74+,75+,76+,77+,78+,79+,80+,81-,82-,83-,84-,85-,86?,87+,88-,89-,90-,91-,92-,93?,94?,95+,97+/m0/s1
InChIKey	ZTIYNKMASWIBLR-GQHBTSHJSA-N

ChEBI Ontology

Outgoing Relation(s)

(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R)-5-acetamido-6-[(3S,4S,5S,6R)-2-[[(2R,3R,4S,5S)-6-[(2R,3R,4R,5S)-5-acetamido-4-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-6-methyl-4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,2,6-trihydroxyhexan-3-yl]oxy-4-[(2R,3S,4S,5S,6R)-3,5-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:151598) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)

Manual Xrefs	Databases
G52014JR	GlyTouCan
G52014JR	GlyGen