Concept information
Preferred term
n-[(3r,4r,5s,6r)-4-hydroxy-5-[(2s,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)-2-(2,3,4,5,6-pentahydroxyhex-3-enoxy)oxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C32H55NO25
inchi
- InChI=1S/C32H55NO25/c1-8-16(41)22(47)24(49)30(52-8)58-28-27(57-31-25(50)23(48)19(44)12(4-35)53-31)20(45)13(5-36)54-32(28)56-26-14(6-37)55-29(15(21(26)46)33-9(2)38)51-7-11(40)18(43)17(42)10(39)3-34/h8,10-16,19-32,34-37,39-50H,3-7H2,1-2H3,(H,33,38)/t8-,10?,11?,12+,13+,14+,15+,16+,19-,20-,21+,22+,23-,24-,25+,26+,27-,28+,29?,30-,31+,32-/m0/s1
inchikey
- PQCVEKWAIZUEBD-HMUOPKQRSA-N
mass
- 853.774
monoisotopicmass
- 853.30632
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]2O)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](NC(=O)C)C(O[C@@H]4CO)OCC(O)C(O)=C(O)C(O)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/5,5,4/[hxFFxh][a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5]/1-2-3-4-5/a6-b1_b4-c1_c2-d1_c3-e1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:150802
{{label}}
{{#each values }} {{! loop through ConceptPropertyValue objects }}
{{#if prefLabel }}
{{/if}}
{{/each}}
{{#if notation }}{{ notation }} {{/if}}{{ prefLabel }}
{{#ifDifferentLabelLang lang }} ({{ lang }}){{/ifDifferentLabelLang}}
{{#if vocabName }}
{{ vocabName }}
{{/if}}

