Concept information
Preferred term
n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4s,5s,6r)-5-[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2r,3r,4s,5s,6r)-2-[[(2s,3s,4s,5s,6r)-3-[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C42H71N3O31
inchi
- InChI=1S/C42H71N3O31/c1-10(51)43-19-27(59)22(54)13(4-46)68-38(19)73-33-17(8-50)72-42(36(31(33)63)76-40-21(45-12(3)53)29(61)24(56)15(6-48)70-40)74-34-26(58)18(67-37(65)32(34)64)9-66-41-35(30(62)25(57)16(7-49)71-41)75-39-20(44-11(2)52)28(60)23(55)14(5-47)69-39/h13-42,46-50,54-65H,4-9H2,1-3H3,(H,43,51)(H,44,52)(H,45,53)/t13-,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+,41+,42-/m1/s1
inchikey
- ISZOSLNYJIMRED-NKPXFWKGSA-N
mass
- 1114.020
monoisotopicmass
- 1113.40715
smiles
- O1[C@H](O[C@H]2[C@H](O)[C@H](O[C@@H](O)[C@H]2O)CO[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4NC(=O)C)CO)CO)[C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5NC(=O)C)CO)[C@@H](O)[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6NC(=O)C)CO)[C@H]1CO
subset
- 2_STAR
synonym RELATED
- 2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranose
- GlcNAc(b1-2)[GlcNAc(b1-4)]Man(a1-3)[GlcNAc(b1-2)Man(a1-6)]b-Man
- WURCS=2.0/3,6,5/[a1122h-1b_1-5][a1122h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-3-2-3/a3-b1_a6-e1_b2-c1_b4-d1_e2-f1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:150721
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