Concept information
Preferred term
n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-[(2r,3r,4r,5r,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C38H65NO29
inchi
- InChI=1S/C38H65NO29/c1-8-16(45)19(48)24(53)35(58-8)64-29-13(6-42)63-37(26(55)22(29)51)67-31-15(39-10(3)44)34(62-14(7-43)30(31)66-36-25(54)20(49)17(46)9(2)59-36)68-32-18(47)11(4-40)61-38(27(32)56)65-28-12(5-41)60-33(57)23(52)21(28)50/h8-9,11-38,40-43,45-57H,4-7H2,1-3H3,(H,39,44)/t8-,9-,11+,12+,13+,14+,15+,16+,17+,18-,19+,20+,21+,22+,23+,24-,25-,26+,27+,28+,29-,30+,31+,32-,33?,34-,35-,36-,37-,38-/m0/s1
inchikey
- SZPRHWLSBNPRSN-CAHCFNKASA-N
mass
- 999.916
monoisotopicmass
- 999.36423
smiles
- O1[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@@H]2O)CO)O[C@H]3[C@H](O)[C@@H](O)C(O[C@@H]3CO)O)[C@H](NC(=O)C)[C@@H](O[C@@H]4O[C@@H]([C@H](O[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)[C@H](O)[C@H]4O)CO)[C@H](O[C@@H]6O[C@H]([C@@H](O)[C@@H](O)[C@@H]6O)C)[C@H]1CO
subset
- 2_STAR
synonym RELATED
- 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose
- Fuc(a1-4)Gal(b1-3)[Fuc(a1-4)]GlcNAc(b1-3)Gal(b1-4)Glc
- WURCS=2.0/4,6,5/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-2-4-4/a4-b1_b3-c1_c3-d1_c4-f1_d4-e1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:151268
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