Concept information
Preferred term
n-[(2r,3r,4r,5r,6r)-4,5-dihydroxy-2-[(2r,3s,4s,5r,6s)-3-hydroxy-2-(hydroxymethyl)-5-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C26H45NO21
inchi
- InChI=1S/C26H45NO21/c1-6(32)27-11-15(36)12(33)7(2-28)43-24(11)47-21-14(35)9(4-30)45-26(46-20-10(5-31)42-23(41)18(39)17(20)38)22(21)48-25-19(40)16(37)13(34)8(3-29)44-25/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13+,14+,15-,16+,17-,18-,19-,20-,21+,22-,23-,24-,25-,26+/m1/s1
inchikey
- PQPMRBNQPUDYHI-MYABIHBTSA-N
mass
- 707.632
monoisotopicmass
- 707.24841
smiles
- O([C@@H]1[C@@H](O[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@@H](O[C@@H]([C@@H]1O)CO)O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]3CO)O)[C@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4NC(=O)C)CO
subset
- 2_STAR
synonym RELATED
- alpha-D-galacto-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
- Gal(a1-2)[GalNAc(a1-3)]Gal(b1-4)b-Glc
- WURCS=2.0/4,4,3/[a2122h-1b_1-5][a2112h-1b_1-5][a2112h-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-4/a4-b1_b2-c1_b3-d1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:148548
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