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beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-[alpha-L-Fucp-(1->6)]-beta-D-GlcpNAc

PropertiesImage
MNX_IDMNXM1129334 Image of MNXM1129334
referencechebi:172958
formulaC84H140N6O60
global charge0
mol weight2194.026
InChIKeyIRVFDNHCWBHSMD-OEKIESILSA-N
InChIInChI=1S/C84H140N6O60/c1-19-43(106)57(120)60(123)79(130-19)128-18-36-67(53(116)37(73(127)131-36)85-20(2)100)142-76-40(88-23(5)103)54(117)66(32(14-97)138-76)145-82-63(126)70(148-84-72(59(122)47(110)29(11-94)137-84)150-78-42(90-25(7)105)56(119)65(34(16-99)140-78)144-81-62(125)69(49(112)31(13-96)135-81)147-75-39(87-22(4)102)52(115)45(108)27(9-92)133-75)50(113)35(141-82)17-129-83-71(58(121)46(109)28(10-93)136-83)149-77-41(89-24(6)104)55(118)64(33(15-98)139-77)143-80-61(124)68(48(111)30(12-95)134-80)146-74-38(86-21(3)101)51(114)44(107)26(8-91)132-74/h19,26-84,91-99,106-127H,8-18H2,1-7H3,(H,85,100)(H,86,101)(H,87,102)(H,88,103)(H,89,104)(H,90,105)/t19-,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-,75-,76-,77-,78-,79+,80-,81-,82-,83-,84+/m0/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](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]1O
MNX internals
InChI (mnx)InChI=1/C84H140N6O60/c1-19-43(106)57(120)60(123)79(130-19)128-18-36-67(53(116)37(73(127)131-36)85-20(2)100)142-76-40(88-23(5)103)54(117)66(32(14-97)138-76)145-82-63(126)70(148-84-72(59(122)47(110)29(11-94)137-84)150-78-42(90-25(7)105)56(119)65(34(16-99)140-78)144-81-62(125)69(49(112)31(13-96)135-81)147-75-39(87-22(4)102)52(115)45(108)27(9-92)133-75)50(113)35(141-82)17-129-83-71(58(121)46(109)28(10-93)136-83)149-77-41(89-24(6)104)55(118)64(33(15-98)139-77)143-80-61(124)68(48(111)30(12-95)134-80)146-74-38(86-21(3)101)51(114)44(107)26(8-91)132-74/h19,26-84,91-99,106-127H,8-18H2,1-7H3,(H,85,100)(H,86,101)(H,87,102)(H,88,103)(H,89,104)(H,90,105)/t19-,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-,75-,76-,77-,78-,79+,80-,81-,82-,83-,84+/m0/s1 Image of MNXM1129334
SMILES (mnx)[CH3:1][C@H:19]1[C@@H:43]([OH:106])[C@@H:57]([OH:120])[C@H:60]([OH:123])[C@H:79]([O:128][CH2:18][C@@H:36]2[C@@H:67]([O:142][C@H:76]3[C@H:40]([N:88]=[C:23]([CH3:5])[OH:103])[C@@H:54]([OH:117])[C@H:66]([O:145][C@H:82]4[C@@H:63]([OH:126])[C@@H:70]([O:148][C@@H:84]5[C@@H:72]([O:150][C@H:78]6[C@H:42]([N:90]=[C:25]([CH3:7])[OH:105])[C@@H:56]([OH:119])[C@H:65]([O:144][C@H:81]7[C@H:62]([OH:125])[C@@H:69]([O:147][C@H:75]8[C@H:39]([N:87]=[C:22]([CH3:4])[OH:102])[C@@H:52]([OH:115])[C@H:45]([OH:108])[C@@H:27]([CH2:9][OH:92])[O:133]8)[C@@H:49]([OH:112])[C@@H:31]([CH2:13][OH:96])[O:135]7)[C@@H:34]([CH2:16][OH:99])[O:140]6)[C@@H:59]([OH:122])[C@H:47]([OH:110])[C@@H:29]([CH2:11][OH:94])[O:137]5)[C@H:50]([OH:113])[C@@H:35]([CH2:17][O:129][C@@H:83]5[C@@H:71]([O:149][C@H:77]6[C@H:41]([N:89]=[C:24]([CH3:6])[OH:104])[C@@H:55]([OH:118])[C@H:64]([O:143][C@H:80]7[C@H:61]([OH:124])[C@@H:68]([O:146][C@H:74]8[C@H:38]([N:86]=[C:21]([CH3:3])[OH:101])[C@@H:51]([OH:114])[C@H:44]([OH:107])[C@@H:26]([CH2:8][OH:91])[O:132]8)[C@@H:48]([OH:111])[C@@H:30]([CH2:12][OH:95])[O:134]7)[C@@H:33]([CH2:15][OH:98])[O:139]6)[C@@H:58]([OH:121])[C@H:46]([OH:109])[C@@H:28]([CH2:10][OH:93])[O:136]5)[O:141]4)[C@@H:32]([CH2:14][OH:97])[O:138]3)[C@H:53]([OH:116])[C@@H:37]([N:85]=[C:20]([CH3:2])[OH:100])[C@H:73]([OH:127])[O:131]2)[O:130]1
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:172958
chebi:172958
IRVFDNHCWBHSMD-OEKIESILSA-N 		beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-[alpha-L-Fucp-(1->6)]-beta-D-GlcpNAc
2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose
6-deoxy-alpha-L-galactopyranosyl-(1->6)-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranose
Fucalpha1-6[GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-2Manalpha1-3(GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-2Manalpha1-6)Manbeta1-4GlcNAcbeta1-4]GlcNAcbeta
GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAc
GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3(GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb
GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-6(GlcNAcb1-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb
GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-2Manalpha1-3(GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-2Manalpha1-6)Manbeta1-4GlcNAcbeta1-4(Fucalpha1-6)GlcNAcbeta
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide
N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-(1->6)]-beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-[alpha-L-fucosyl-(1->6)]-N-acetyl-beta-D-glucosamine
WURCS=2.0/5,12,11/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-1-3-1-4-1-5/a4-b1_a6-l1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f3-g1_h2-i1_i4-j1_j3-k1
alpha-L-fucopyranosyl-(1->6)-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranose
alpha-L-fucosyl-(1->6)-[N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-(1->6)]-beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)]-N-acetyl-beta-D-glucosamine

chebi:148514 		secondary/obsolete/fantasy identifier