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CHEBI:149076 - (2S,3S,4R,5S,6S)-2-[(2R,3R,4R,5R,6S)-5-Hydroxy-2-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol

ChEBI IDCHEBI:149076
ChEBI Name(2S,3S,4R,5S,6S)-2-[(2R,3R,4R,5R,6S)-5-Hydroxy-2-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC30H52O25
Net Charge0
Average Mass812.721
Monoisotopic Mass812.27977
SMILESC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](O)O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]3O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/3,5,4/[a2112h-1b_1-5][a2122h-1b_1-5][a1221m-1a_1-5]/1-2-3-1-1/a3-b1_a6-e1_b3-c1_b4-d1
InChIInChI=1S/C30H52O25/c1-6-11(34)15(38)19(42)28(48-6)55-25-22(45)30(52-9(4-33)23(25)53-29-20(43)17(40)13(36)8(3-32)51-29)54-24-14(37)10(49-26(46)21(24)44)5-47-27-18(41)16(39)12(35)7(2-31)50-27/h6-46H,2-5H2,1H3/t6-,7+,8+,9+,10+,11+,12-,13-,14-,15+,16-,17-,18+,19-,20+,21+,22+,23+,24-,25+,26+,27+,28-,29-,30-/m0/s1
InChIKeyXJZDVUKPAVZMLP-MNBNUWFPSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4R,5S,6S)-2-[(2R,3R,4R,5R,6S)-5-Hydroxy-2-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol (CHEBI:149076) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
Fuc(a1-3)[Gal(b1-4)]Glc(b1-3)[Gal(b1-6)]b-GalSUBMITTER
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-beta-D-gluco-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->6)]-beta-D-galacto-hexopyranoseSUBMITTER
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