CHEBI:147268 - N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2R,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-dihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide

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 N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2R,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-dihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
ChEBI ID CHEBI:147268
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C72H121N3O53
Net Charge 0
Average Mass 1876.728
Monoisotopic Mass 1875.68653
InChI InChI=1S/C72H121N3O53/c1-15-32(86)39(93)46(100)66(109-15)121-55-26(12-81)117-64(31(75-20(6)85)59(55)126-70-50(104)43(97)36(90)22(8-77)114-70)127-60-37(91)23(9-78)115-71(51(60)105)123-54-25(11-80)116-63(29(73-18(4)83)57(54)124-67-47(101)40(94)33(87)16(2)110-67)108-14-28-38(92)61(52(106)72(119-28)120-53-24(10-79)112-62(107)45(99)44(53)98)128-65-30(74-19(5)84)58(125-68-48(102)41(95)34(88)17(3)111-68)56(27(13-82)118-65)122-69-49(103)42(96)35(89)21(7-76)113-69/h15-17,21-72,76-82,86-107H,7-14H2,1-6H3,(H,73,83)(H,74,84)(H,75,85)/t15-,16+,17-,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?,63+,64-,65-,66-,67+,68-,69-,70-,71-,72-/m0/s1
InChIKey UPVGUUYARJAMKZ-TXMHHVSMSA-N
SMILES O([C@H]1[C@H](O[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)C)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O[C@@H]4CO)O)[C@H](O)[C@@H](O[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]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)[C@H]5NC(=O)C)CO)[C@H]3O)[C@@H]8O[C@@H]([C@H](O)[C@H](O[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@H]([C@@H](O)[C@@H](O)[C@@H]%10O)C)[C@H](O[C@@H]%11O[C@@H]([C@H](O)[C@H](O)[C@H]%11O)CO)[C@H]9NC(=O)C)CO)[C@H]8O)CO
ChEBI Ontology
Outgoing N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2R,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-dihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:147268) is a polysaccharide (CHEBI:18154)
Synonyms Sources
beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose SUBMITTER
Gal(b1-3)[Fuc(a1-4)]GlcNAc(b1-3)Gal(b1-4)[D-Fuc(a1-3)]GlcNAc(b1-6)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-3)]Gal(b1-4)Glc SUBMITTER
WURCS=2.0/5,11,10/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112m-1a_1-5]/1-2-3-4-2-3-5-2-3-2-4/a4-b1_b3-c1_b6-f1_c3-d1_c4-e1_f3-g1_f4-h1_h3-i1_i3-j1_i4-k1 SUBMITTER
Manual Xrefs Databases
G10970DV GlyTouCan
G10970DV GlyGen
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