CHEBI:153367 - N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S,6R)-6-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4R,5S)-5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S,6R)-6-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4R,5S)-5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
ChEBI ID CHEBI:153367
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C42H73N3O31
Net Charge 0
Average Mass 1116.036
Monoisotopic Mass 1115.42280
InChI InChI=1S/C42H73N3O31/c1-11(52)43-14(4-46)23(56)34(15(55)5-47)73-39-22(45-13(3)54)28(61)35(18(8-50)70-39)75-42-33(66)37(26(59)20(72-42)10-67-40-31(64)29(62)25(58)17(7-49)69-40)76-41-32(65)30(63)36(19(9-51)71-41)74-38-21(44-12(2)53)27(60)24(57)16(6-48)68-38/h14-42,46-51,55-66H,4-10H2,1-3H3,(H,43,52)(H,44,53)(H,45,54)/t14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29-,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,41+,42-/m0/s1
InChIKey PUQOUHMSFRYHPP-QLLYDOEJSA-N
SMILES O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO)[C@@H]2O[C@@H]([C@@H](O)[C@H](O[C@H]3O[C@@H]([C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4NC(=O)C)CO)[C@H](O)[C@@H]3O)CO)[C@@H]2O)CO[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O)CO
ChEBI Ontology
Outgoing N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S,6R)-6-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4R,5S)-5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:153367) is a oligosaccharide (CHEBI:50699)
Synonym Source
WURCS=2.0/4,6,5/[h2122h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-2-4/a4-b1_b4-c1_c3-d1_c6-f1_d4-e1 SUBMITTER
Manual Xrefs Databases
G72587UU GlyTouCan
G72587UU GlyGen
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