Concept information
Preferred term
n-[(2s,3r,4r,5s,6r)-2-[(2r,3r,4s,5s,6r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2-[(2s,3r,4s,5r)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C36H63N3O26
inchi
- InChI=1S/C36H63N3O26/c1-10(46)37-13(4-40)29(21(50)14(49)5-41)62-33-19(38-11(2)47)31(24(53)16(7-43)58-33)64-36-28(57)32(25(54)18(9-45)61-36)65-34-20(39-12(3)48)30(23(52)17(8-44)59-34)63-35-27(56)26(55)22(51)15(6-42)60-35/h13-36,40-45,49-57H,4-9H2,1-3H3,(H,37,46)(H,38,47)(H,39,48)/t13-,14+,15+,16+,17+,18+,19+,20+,21-,22-,23+,24+,25-,26-,27+,28+,29+,30+,31+,32-,33-,34-,35-,36-/m0/s1
inchikey
- UPSSYGTWYBLQJO-LFTSIMLQSA-N
mass
- 953.895
monoisotopicmass
- 953.36998
smiles
- O([C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@H]2O)CO)O[C@H]([C@@H](NC(=O)C)CO)[C@@H](O)[C@H](O)CO)O[C@@H]([C@@H]1O)CO)[C@@H]3O[C@@H]([C@@H](O)[C@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H]3NC(=O)C)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/3,5,4/[h2112h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3-2-3/a3-b1_b3-c1_c3-d1_d3-e1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:154268
{{label}}
{{#each values }} {{! loop through ConceptPropertyValue objects }}
{{#if prefLabel }}
{{/if}}
{{/each}}
{{#if notation }}{{ notation }} {{/if}}{{ prefLabel }}
{{#ifDifferentLabelLang lang }} ({{ lang }}){{/ifDifferentLabelLang}}
{{#if vocabName }}
{{ vocabName }}
{{/if}}

