Concept information
Preferred term
n-[(2r,3r,4r,5s,6r)-2-[(2r,3s,4r,5s)-5-acetamido-4-[(2r,3r,4s,5s,6r)-6-[[(2r,3r,4r,5s,6r)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C42H73N3O30
inchi
- InChI=1S/C42H73N3O30/c1-11-23(54)30(61)32(63)40(68-11)74-36-22(45-14(4)52)39(70-19(8-49)27(36)58)67-10-20-28(59)37(75-41-33(64)31(62)26(57)18(7-48)71-41)34(65)42(72-20)73-35(15(5-46)43-12(2)50)24(55)16(53)9-66-38-21(44-13(3)51)29(60)25(56)17(6-47)69-38/h11,15-42,46-49,53-65H,5-10H2,1-4H3,(H,43,50)(H,44,51)(H,45,52)/t11-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24-,25+,26-,27+,28-,29+,30+,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42-/m0/s1
inchikey
- RWYUCUWCFQSWQT-UWRYSYIGSA-N
mass
- 1100.037
monoisotopicmass
- 1099.42789
smiles
- O1[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](O)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)CO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO)[C@@H](NC(=O)C)CO)CO[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)C)[C@H]4NC(=O)C)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/4,6,5/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-2-3-4-3/a3-b1_a6-f1_b3-c1_b6-d1_d3-e1
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:154097
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