Concept information
Preferred term
n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4s,5r,6s)-2-[[(2r,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-5-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(2r,3s,4r,5r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C46H78N2O35
inchi
- InChI=1S/C46H78N2O35/c1-10-21(55)27(61)33(67)44(73-10)82-38-20(48-12(3)54)41(77-16(7-52)37(38)81-45-34(68)29(63)23(57)14(5-50)76-45)71-9-18-25(59)39(35(69)46(79-18)80-36-15(6-51)74-40(70)31(65)30(36)64)83-42-19(47-11(2)53)26(60)24(58)17(78-42)8-72-43-32(66)28(62)22(56)13(4-49)75-43/h10,13-46,49-52,55-70H,4-9H2,1-3H3,(H,47,53)(H,48,54)/t10-,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+,39-,40?,41+,42-,43+,44-,45-,46-/m0/s1
inchikey
- ZOWXNILTUYEOOS-BMIWBPQLSA-N
mass
- 1219.109
monoisotopicmass
- 1218.43851
smiles
- O1[C@@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O[C@@H]3CO)O)[C@H](O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4NC(=O)C)CO[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO)[C@H]2O)[C@H](NC(=O)C)[C@@H](O[C@@H]6O[C@H]([C@@H](O)[C@@H](O)[C@@H]6O)C)[C@H](O[C@@H]7O[C@@H]([C@H](O)[C@H](O)[C@H]7O)CO)[C@H]1CO
subset
- 2_STAR
synonym RELATED
- beta-D-galacto-hexopyranosyl-(1->6)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose
- Gal(b1-6)GlcNAc(b1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]Gal(b1-4)Glc
- WURCS=2.0/4,7,6/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-2-3-4-2/a4-b1_b3-c1_b6-e1_c6-d1_e3-f1_e4-g1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:148537
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