CHEBI:154933 - [(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2R,3S,4R,5S)-5-acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name [(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2R,3S,4R,5S)-5-acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
ChEBI ID CHEBI:154933
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C42H73N3O33S
Net Charge 0
Average Mass 1180.090
Monoisotopic Mass 1179.38470
InChI InChI=1S/C42H73N3O33S/c1-11-23(55)29(61)31(63)40(69-11)77-37-30(62)25(57)17(6-47)72-42(37)76-35-22(45-14(4)53)39(70-18(7-48)26(35)58)74-33(15(5-46)43-12(2)51)24(56)16(54)10-68-38-21(44-13(3)52)28(60)34(20(9-50)73-38)75-41-32(64)36(78-79(65,66)67)27(59)19(8-49)71-41/h11,15-42,46-50,54-64H,5-10H2,1-4H3,(H,43,51)(H,44,52)(H,45,53)(H,65,66,67)/t11-,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 BEDSVTBZTVYNCM-GRGGCWTRSA-N
SMILES S(O[C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)OC[C@@H](O)[C@H](O)[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)CO)[C@H]3NC(=O)C)CO)[C@@H](NC(=O)C)CO)O[C@@H]([C@@H]1O)CO)(O)(=O)=O
ChEBI Ontology
Outgoing [(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2R,3S,4R,5S)-5-acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate (CHEBI:154933) is a oligosaccharide (CHEBI:50699)
Synonym Source
WURCS=2.0/5,6,5/[h2112h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1b_1-5_3*OSO/3=O/3=O]/1-2-3-4-2-5/a3-b1_a6-e1_b3-c1_c2-d1_e4-f1 SUBMITTER
Manual Xrefs Databases
G84647SC GlyTouCan
G84647SC GlyGen
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