Concept information
Preferred term
n-[(2r,3r,4r,5s,6r)-2-[[(2r,3s,4s,5r,6r)-6-[(2s,3r,4s,5r)-2-acetamido-6-[(2r,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-4-[(2s,3r,4r,5s,6r)-3-acetamido-4-[(2r,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2s,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
- C62H106N4O45
inchi
- InChI=1S/C62H106N4O45/c1-15-32(79)41(88)45(92)58(98-15)111-54-44(91)36(83)24(9-70)102-62(54)109-52-31(66-19(5)77)57(99-25(10-71)37(52)84)110-53-38(85)28(14-97-56-30(65-18(4)76)40(87)51(27(12-73)104-56)108-60-47(94)43(90)35(82)23(8-69)101-60)105-61(48(53)95)106-49(20(6-67)63-16(2)74)33(80)21(78)13-96-55-29(64-17(3)75)39(86)50(26(11-72)103-55)107-59-46(93)42(89)34(81)22(7-68)100-59/h15,20-62,67-73,78-95H,6-14H2,1-5H3,(H,63,74)(H,64,75)(H,65,76)(H,66,77)/t15-,20-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33-,34-,35-,36-,37+,38-,39+,40+,41+,42-,43-,44-,45-,46+,47+,48+,49+,50+,51+,52+,53-,54+,55+,56+,57-,58-,59-,60-,61-,62-/m0/s1
inchikey
- NQODZDCTIZACAN-UKLCNTIPSA-N
mass
- 1627.513
monoisotopicmass
- 1626.61291
smiles
- O([C@H]1[C@@H](O)[C@H](O[C@@H](O[C@@H]([C@@H](O)[C@H](O)CO[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)[C@H](O)[C@H]2NC(=O)C)CO)[C@@H](NC(=O)C)CO)[C@@H]1O)CO[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4NC(=O)C)CO)[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@@H]([C@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@H]([C@@H](O)[C@@H](O)[C@@H]8O)C)CO)[C@H]6NC(=O)C)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/4,9,8/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-2-4-3-2-3-2/a3-b1_a6-h1_b3-c1_b6-f1_c3-d1_d2-e1_f4-g1_h4-i1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:146802
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