Concept information
Preferred term
n-[(2s,3r,4r,5r,6r)-2-[(2r,3r,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-4-[(2r,3r,4s,5s,6r)-5-hydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C38H65NO30
inchi
- InChI=1S/C38H65NO30/c1-8-16(46)20(50)25(55)35(59-8)69-32-31(68-36-26(56)21(51)17(47)10(3-40)62-36)19(49)12(5-42)63-38(32)67-30-15(39-9(2)45)34(61-11(4-41)18(30)48)65-29-14(7-44)64-37(27(57)23(29)53)66-28-13(6-43)60-33(58)24(54)22(28)52/h8,10-38,40-44,46-58H,3-7H2,1-2H3,(H,39,45)/t8-,10+,11+,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-/m0/s1
inchikey
- LKMSNDGCRNQHOM-GFORMUGXSA-N
mass
- 1015.915
monoisotopicmass
- 1015.35914
smiles
- O([C@@H]1[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@@H]1O)CO)O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](O)C(O[C@@H]3CO)O)[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)CO)[C@H]4O[C@@H]6O[C@H]([C@@H](O)[C@@H](O)[C@@H]6O)C)CO
subset
- 2_STAR
synonym RELATED
- 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose
- Fuc(a1-2)[Gal(a1-3)]Gal(b1-3)GalNAc(b1-4)Gal(b1-4)Glc
- WURCS=2.0/5,6,5/[a2122h-1x_1-5][a2112h-1b_1-5][a2112h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1a_1-5]/1-2-3-2-4-5/a4-b1_b4-c1_c3-d1_d2-e1_d3-f1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:152172
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