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[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5S)-5-acetamido-2,6-dihydroxy-1-sulfooxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate

PropertiesImageOccurences in reactions
MNX_IDMNXM1112911Image of MNXM1112911
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC34H60N2O31S2
charge0
mass1056.26215
referencechebi:146941
InChIKeyGDUHYIXXFCBRAT-XIAUKHJSSA-N
InChIInChI=1S/C34H60N2O31S2/c1-9-18(43)22(47)24(49)32(60-9)64-27(12(4-37)35-10(2)40)28(13(42)7-58-68(52,53)54)65-34-26(51)30(20(45)15(6-39)62-34)67-31-17(36-11(3)41)21(46)29(16(63-31)8-59-69(55,56)57)66-33-25(50)23(48)19(44)14(5-38)61-33/h9,12-34,37-39,42-51H,4-8H2,1-3H3,(H,35,40)(H,36,41)(H,52,53,54)(H,55,56,57)/t9-,12-,13+,14+,15+,16+,17+,18+,19-,20-,21+,22+,23-,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-,34-/m0/s1
SMILESCC(=O)N[C@@H](CO)[C@@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@H]1O)[C@H](O)COS(=O)(=O)O
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:146941
chebi:146941
[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5S)-5-acetamido-2,6-dihydroxy-1-sulfooxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate
WURCS=2.0/4,5,4/[h2122h_2*NCC/3=O_6*OSO/3=O/3=O][a1221m-1a_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O]/1-2-3-4-3/a3-b1_a4-c1_c3-d1_d4-e1