CHEBI:155060 - N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-4-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4S,5S,6R)-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-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-4-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4S,5S,6R)-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-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
ChEBI ID CHEBI:155060
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C40H68N2O30
Net Charge 0
Average Mass 1056.968
Monoisotopic Mass 1056.38569
InChI InChI=1S/C40H68N2O30/c1-9-19(49)25(55)28(58)37(63-9)72-34-26(56)21(51)13(5-44)67-40(34)71-33-22(52)14(6-45)66-39(30(33)60)69-31-15(7-46)68-38(29(59)27(31)57)70-32-18(42-11(3)48)35(61)64-16(23(32)53)8-62-36-17(41-10(2)47)24(54)20(50)12(4-43)65-36/h9,12-40,43-46,49-61H,4-8H2,1-3H3,(H,41,47)(H,42,48)/t9-,12+,13+,14+,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+/m0/s1
InChIKey RBMJGWLVZOHBRL-USYZPJSCSA-N
SMILES O([C@@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@@H](O)[C@H](OC(O)[C@@H]2NC(=O)C)CO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO)O[C@@H]1CO)[C@H]4O[C@@H]([C@H](O)[C@H](O[C@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@H]([C@@H](O)[C@@H](O)[C@@H]6O)C)CO)[C@H]4O)CO
ChEBI Ontology
Outgoing N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-4-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4S,5S,6R)-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-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:155060) is a amino sugar (CHEBI:28963)
Synonyms Sources
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-alpha-D-galacto-hexopyranosyl-(1->3)-alpha-D-galacto-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranose SUBMITTER
Fuc(a1-2)Gal(a1-3)Gal(a1-4)Gal(b1-3)[GlcNAc(b1-6)]GalNAc SUBMITTER
WURCS=2.0/5,6,5/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5][a1221m-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-3-4-5/a3-b1_a6-f1_b4-c1_c3-d1_d2-e1 SUBMITTER
Manual Xrefs Databases
G91227PM GlyTouCan
G91227PM GlyGen
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