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N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4-[(2R,3S,4S,5S,6R)-3,5-bis[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

PropertiesImage
MNX_IDMNXM152727 Image of MNXM152727
referencechebi:146649
formulaC74H123N7O51
global charge0
mol weight1926.796
InChIKeyRERHTDWKVJUAPO-ZOJVCZETSA-N
InChIInChI=1S/C74H123N7O51/c1-18(90)75-35-53(108)58(30(13-87)116-65(35)113)126-71-41(81-24(7)96)54(109)59(31(14-88)122-71)128-72-57(112)62(130-74-64(132-70-40(80-23(6)95)52(107)46(101)29(12-86)121-70)56(111)60(32(15-89)123-74)127-67-37(77-20(3)92)49(104)43(98)26(9-83)118-67)61(129-68-38(78-21(4)93)50(105)44(99)27(10-84)119-68)34(125-72)17-115-73-63(131-69-39(79-22(5)94)51(106)45(100)28(11-85)120-69)55(110)47(102)33(124-73)16-114-66-36(76-19(2)91)48(103)42(97)25(8-82)117-66/h25-74,82-89,97-113H,8-17H2,1-7H3,(H,75,90)(H,76,91)(H,77,92)(H,78,93)(H,79,94)(H,80,95)(H,81,96)/t25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55+,56+,57+,58-,59-,60-,61-,62-,63+,64+,65-,66-,67+,68+,69+,70+,71+,72+,73+,74-/m1/s1
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
MNX internals
InChI (mnx)InChI=1/C74H123N7O51/c1-18(90)75-35-53(108)58(30(13-87)116-65(35)113)126-71-41(81-24(7)96)54(109)59(31(14-88)122-71)128-72-57(112)62(130-74-64(132-70-40(80-23(6)95)52(107)46(101)29(12-86)121-70)56(111)60(32(15-89)123-74)127-67-37(77-20(3)92)49(104)43(98)26(9-83)118-67)61(129-68-38(78-21(4)93)50(105)44(99)27(10-84)119-68)34(125-72)17-115-73-63(131-69-39(79-22(5)94)51(106)45(100)28(11-85)120-69)55(110)47(102)33(124-73)16-114-66-36(76-19(2)91)48(103)42(97)25(8-82)117-66/h25-74,82-89,97-113H,8-17H2,1-7H3,(H,75,90)(H,76,91)(H,77,92)(H,78,93)(H,79,94)(H,80,95)(H,81,96)/t25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55+,56+,57+,58-,59-,60-,61-,62-,63+,64+,65-,66-,67+,68+,69+,70+,71+,72+,73+,74-/m1/s1 Image of MNXM152727
SMILES (mnx)[CH3:1][C:18](=[N:75][C@@H:35]1[C@@H:53]([OH:108])[C@H:58]([O:126][C@H:71]2[C@H:41]([N:81]=[C:24]([CH3:7])[OH:96])[C@@H:54]([OH:109])[C@H:59]([O:128][C@H:72]3[C@@H:57]([OH:112])[C@@H:62]([O:130][C@@H:74]4[C@@H:64]([O:132][C@H:70]5[C@H:40]([N:80]=[C:23]([CH3:6])[OH:95])[C@@H:52]([OH:107])[C@H:46]([OH:101])[C@@H:29]([CH2:12][OH:86])[O:121]5)[C@@H:56]([OH:111])[C@H:60]([O:127][C@H:67]5[C@H:37]([N:77]=[C:20]([CH3:3])[OH:92])[C@@H:49]([OH:104])[C@H:43]([OH:98])[C@@H:26]([CH2:9][OH:83])[O:118]5)[C@@H:32]([CH2:15][OH:89])[O:123]4)[C@H:61]([O:129][C@H:68]4[C@H:38]([N:78]=[C:21]([CH3:4])[OH:93])[C@@H:50]([OH:105])[C@H:44]([OH:99])[C@@H:27]([CH2:10][OH:84])[O:119]4)[C@@H:34]([CH2:17][O:115][C@@H:73]4[C@@H:63]([O:131][C@H:69]5[C@H:39]([N:79]=[C:22]([CH3:5])[OH:94])[C@@H:51]([OH:106])[C@H:45]([OH:100])[C@@H:28]([CH2:11][OH:85])[O:120]5)[C@@H:55]([OH:110])[C@H:47]([OH:102])[C@@H:33]([CH2:16][O:114][C@H:66]5[C@H:36]([N:76]=[C:19]([CH3:2])[OH:91])[C@@H:48]([OH:103])[C@H:42]([OH:97])[C@@H:25]([CH2:8][OH:82])[O:117]5)[O:124]4)[O:125]3)[C@@H:31]([CH2:14][OH:88])[O:122]2)[C@@H:30]([CH2:13][OH:87])[O:116][C@H:65]1[OH:113])[OH:90]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:146649
chebi:146649
RERHTDWKVJUAPO-ZOJVCZETSA-N 		N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4-[(2R,3S,4S,5S,6R)-3,5-bis[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)][2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose
GlcNAc(b1-2)[GlcNAc(b1-4)]Man(a1-3)[GlcNAc(b1-2)[GlcNAc(b1-6)]Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)b-GlcNAc
WURCS=2.0/3,10,9/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-1-1-1-3-1-1/a4-b1_b4-c1_c3-d1_c4-g1_c6-h1_d2-e1_d4-f1_h2-i1_h6-j1

CHEBI:87557
chebi:87557
RERHTDWKVJUAPO-BUIIBYMZSA-N 		beta-D-GlcpNAc-(1->6)-[beta-D-GlcpNAc-(1->2)]-alpha-D-Manp-(1->6)-[beta-D-GlcpNAc-(1->4)]-{beta-D-GlcpNAc-(1->4)-[beta-D-GlcpNAc-(1->2)]-alpha-D-Manp-(1->3)}-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc
2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)]-alpha-D-mannopyranosyl-(1->3)]-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose
GlcNAcb1-6(GlcNAcb1-2)Mana1-6(GlcNAcb1-4)(GlcNAcb1-4(GlcNAcb1-2)Mana1-3)Manb1-4GlcNAcb1-4GlcNAc
N-acetyl-beta-D-glucosaminyl-(1->6)-[N-acetyl-beta-D-glucosaminyl-(1->2)]-alpha-D-mannosyl-(1->6)-[N-acetyl-beta-D-glucosaminyl-(1->4)]-{N-acetyl-beta-D-glucosaminyl-(1->4)-[N-acetyl-beta-D-glucosaminyl-(1->2)]-alpha-D-mannosyl-(1->3)}-beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosamine
O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-O-[O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)]-alpha-D-mannopyranosyl-(1->3)]-O-[O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)]-O-beta-D-mannopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-D-glucopyranose
WURCS=2.0/4,10,9/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-2-2-2-4-2-2/a4-b1_b4-c1_c3-d1_c4-g1_c6-h1_d2-e1_d4-f1_h2-i1_h6-j1
beta-D-GlcNAc-(1->6)-[beta-D-GlcNAc-(1->2)]-alpha-D-Man-(1->6)-[beta-D-GlcNAc-(1->4)]-{beta-D-GlcNAc-(1->4)-[beta-D-GlcNAc-(1->2)]-alpha-D-Man-(1->3)}-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc