CHEBI:157569 - N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3R,4S,5R)-2-Acetamido-6-[(2R,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-1,4,5-trihydroxyhexan-3-yl]oxy-4-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

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ChEBI Name N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3R,4S,5R)-2-Acetamido-6-[(2R,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-1,4,5-trihydroxyhexan-3-yl]oxy-4-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
ChEBI ID CHEBI:157569
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C62H106N4O45
Net Charge 0
Average Mass 1627.513
Monoisotopic Mass 1626.61291
InChI InChI=1S/C62H106N4O45/c1-15-32(79)40(87)44(91)58(98-15)110-53-31(66-19(5)77)57(104-27(12-73)52(53)109-61-47(94)43(90)36(83)24(9-70)101-61)111-54-37(84)28(14-97-56-30(65-18(4)76)39(86)51(26(11-72)103-56)108-60-46(93)42(89)35(82)23(8-69)100-60)105-62(48(54)95)106-49(20(6-67)63-16(2)74)33(80)21(78)13-96-55-29(64-17(3)75)38(85)50(25(10-71)102-55)107-59-45(92)41(88)34(81)22(7-68)99-59/h15,20-62,67-73,78-95H,6-14H2,1-5H3,(H,63,74)(H,64,75)(H,65,76)(H,66,77)/t15-,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+,50+,51+,52+,53+,54-,55+,56+,57-,58-,59-,60-,61-,62-/m0/s1
InChIKey BLNFYGXFVZXKFN-TYEUFXDDSA-N
SMILES O1[C@@H](O[C@H]2[C@@H](O)[C@H](O[C@@H](O[C@@H]([C@@H](O)[C@H](O)CO[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3NC(=O)C)CO)[C@@H](NC(=O)C)CO)[C@@H]2O)CO[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO)[C@H](O)[C@H]5NC(=O)C)CO)[C@H](NC(=O)C)[C@@H](O[C@@H]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)[C@H](O[C@@H]8O[C@@H]([C@H](O)[C@H](O)[C@H]8O)CO)[C@H]1CO
ChEBI Ontology
Outgoing N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3R,4S,5R)-2-Acetamido-6-[(2R,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-1,4,5-trihydroxyhexan-3-yl]oxy-4-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:157569) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonym Source
WURCS=2.0/4,9,8/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-3-2-3-2/a3-b1_a6-h1_b3-c1_b6-f1_c3-d1_c4-e1_f4-g1_h4-i1 SUBMITTER
Manual Xrefs Databases
G92155IO GlyTouCan
G92155IO GlyGen
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