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(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-[(2R,3R,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

PropertiesImageOccurences in reactions
MNX_IDMNXM1113057Image of MNXM1113057
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC42H69N3O32
charge0
mass1127.38642
referencechebi:147145
InChIKeyGZQFQLVWNPTTJB-LGXQHBHVSA-N
InChIInChI=1S/C42H69N3O32/c1-11(50)43-21-14(53)4-41(39(65)66,75-33(21)24(57)16(55)6-46)69-10-20-27(60)32(23(45-13(3)52)37(72-20)73-31-19(9-49)70-36(64)29(62)28(31)61)74-38-30(63)35(26(59)18(8-48)71-38)77-42(40(67)68)5-15(54)22(44-12(2)51)34(76-42)25(58)17(56)7-47/h14-38,46-49,53-64H,4-10H2,1-3H3,(H,43,50)(H,44,51)(H,45,52)(H,65,66)(H,67,68)/t14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28+,29+,30+,31-,32+,33+,34+,35-,36?,37-,38-,41+,42-/m0/s1
SMILESCC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](NC(C)=O)[C@H](O[C@H]4[C@@H](CO)OC(O)[C@H](O)[C@H]4O)O[C@H](CO[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@@H]3O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:147145
chebi:147145
(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-[(2R,3R,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-D-galacto-hexopyranose
NeuAc(a2-3)Gal(b1-3)[NeuAc(a2-6)]GalNAc(b1-4)Gal
WURCS=2.0/4,5,4/[a2112h-1x_1-5][a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-4/a4-b1_b3-c1_b6-e2_c3-d2