Concept information
Preferred term
n-[(2r,3r,4r,5r,6r)-2-[(2s,3r,4s,5s,6r)-2-[(3r,4s,5s,6r)-2,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-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
- C32H55NO24
inchi
- InChI=1S/C32H55NO24/c1-7-14(38)20(44)22(46)30(49-7)56-26-24(17(41)11(5-35)51-28(26)48)55-32-27(57-31-23(47)21(45)15(39)8(2)50-31)25(18(42)12(6-36)53-32)54-29-13(33-9(3)37)19(43)16(40)10(4-34)52-29/h7-8,10-32,34-36,38-48H,4-6H2,1-3H3,(H,33,37)/t7-,8-,10+,11+,12+,13+,14+,15+,16-,17-,18-,19+,20+,21+,22-,23-,24-,25-,26+,27+,28?,29+,30-,31-,32-/m0/s1
inchikey
- PGTKQKFJQOPQKU-WNOJCMDRSA-N
mass
- 837.775
monoisotopicmass
- 837.31140
smiles
- O([C@@H]1O[C@@H]([C@H](O)[C@H](O[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@H]1O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)CO)[C@@H]4[C@@H](O[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)C(O[C@@H]([C@@H]4O)CO)O
subset
- 2_STAR
synonym RELATED
- 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)]-D-galacto-hexopyranose
- Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3)[Fuc(a1-2)]Gal
- WURCS=2.0/4,5,4/[a2112h-1x_1-5][a1221m-1a_1-5][a2112h-1b_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-2-4/a2-b1_a3-c1_c2-d1_c3-e1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:148272
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