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(2R,3S,4R,5R,6R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid

PropertiesImageOccurences in reactions
MNX_IDMNXM1116038Image of MNXM1116038
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC22H36N2O20S
charge0
mass680.15821
referencechebi:151319
InChIKeyYZNNBTYVAXOJMP-OUSPHFFISA-N
InChIInChI=1S/C22H36N2O20S/c1-5(27)23-9-12(30)11(29)7(3-25)40-21(9)42-17-13(31)14(32)22(43-18(17)19(33)34)41-16-10(24-6(2)28)20(35)39-8(4-26)15(16)44-45(36,37)38/h7-18,20-22,25-26,29-32,35H,3-4H2,1-2H3,(H,23,27)(H,24,28)(H,33,34)(H,36,37,38)/t7-,8-,9-,10-,11+,12-,13-,14-,15+,16-,17+,18-,20?,21+,22-/m1/s1
SMILESCC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](OS(=O)(=O)O)[C@@H]1O[C@@H]1O[C@@H](C(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:151319
chebi:151319
(2R,3S,4R,5R,6R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-alpha-L-ido-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-4-O-sulfo-D-galacto-hexopyranose
GalNAc(b1-4)IdoA(a1-3)GalNAc4S
WURCS=2.0/3,3,2/[a2112h-1x_1-5_2*NCC/3=O_4*OSO/3=O/3=O][a2121A-1a_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3/a3-b1_b4-c1