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6-[(2R,3S,4R,5R,6R)-6-[2-Carboxy-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,6-dihydroxy-5-sulfooxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(sulfoamino)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(sulfoamino)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

PropertiesImageOccurences in reactions
MNX_IDMNXM1119969Image of MNXM1119969
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC30H48N2O36S3
charge0
mass1108.11489
referencechebi:157085
InChIKeyAATQVLROCJIVQS-PVPAKXSDSA-N
InChIInChI=1S/C30H48N2O36S3/c33-1-3-15(62-29-12(40)9(37)10(38)19(66-29)23(43)44)7(35)5(31-69(50,51)52)27(59-3)64-17-11(39)13(41)30(67-22(17)25(47)48)63-16-4(2-34)60-28(6(8(16)36)32-70(53,54)55)65-18-14(42)20(68-71(56,57)58)26(49)61-21(18)24(45)46/h3-22,26-42,49H,1-2H2,(H,43,44)(H,45,46)(H,47,48)(H,50,51,52)(H,53,54,55)(H,56,57,58)/t3-,4-,5-,6-,7-,8-,9?,10?,11?,12?,13?,14+,15-,16-,17?,18+,19?,20-,21-,22?,26-,27-,28-,29?,30?/m1/s1
SMILESO=C(O)C1OC(O[C@@H]2[C@@H](CO)O[C@H](OC3C(C(=O)O)OC(O[C@@H]4[C@@H](CO)O[C@H](O[C@H]5[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O)O[C@H]5C(=O)O)[C@H](NS(=O)(=O)O)[C@H]4O)C(O)C3O)[C@H](NS(=O)(=O)O)[C@H]2O)C(O)C(O)C1O
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:157085
chebi:157085
6-[(2R,3S,4R,5R,6R)-6-[2-Carboxy-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,6-dihydroxy-5-sulfooxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(sulfoamino)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(sulfoamino)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
HexA(?1-4)GlcNS(a1-4)HexA(?1-4)GlcNS(a1-4)a-IdoA2S
WURCS=2.0/3,5,4/[a2121A-1a_1-5_2*OSO/3=O/3=O][a2122h-1a_1-5_2*NSO/3=O/3=O][axxxxA-1b_1-5]/1-2-3-2-3/a4-b1_b4-c1_c4-d1_d4-e1
hexopyranosyluronic acid-(1->4)-2-deoxy-2-sulfoamino-alpha-D-gluco-hexopyranosyl-(1->4)-hexopyranosyluronic acid-(1->4)-2-deoxy-2-sulfoamino-alpha-D-gluco-hexopyranosyl-(1->4)-2-O-sulfo-alpha-L-ido-hexopyranuronic acid