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

PropertiesImage
MNX_IDMNXM102558 Image of MNXM102558
referencechebi:65269
formulaC74H124N4O54
global charge0
mol weight1933.78
InChIKeyBJGRWHUEHBUNMV-DXDVLYSCSA-N
InChIInChI=1S/C74H124N4O54/c1-16-35(91)46(102)52(108)68(113-16)131-62-50(106)39(95)23(8-80)119-72(62)126-57-33(77-20(5)89)66(116-26(11-83)41(57)97)129-60-48(104)37(93)22(7-79)118-71(60)112-15-30-43(99)59(54(110)70(123-30)125-56-29(14-86)122-65(32(45(56)101)76-19(4)88)124-55-28(13-85)115-64(111)31(44(55)100)75-18(3)87)128-74-61(49(105)38(94)25(10-82)121-74)130-67-34(78-21(6)90)58(42(98)27(12-84)117-67)127-73-63(51(107)40(96)24(9-81)120-73)132-69-53(109)47(103)36(92)17(2)114-69/h16-17,22-74,79-86,91-111H,7-15H2,1-6H3,(H,75,87)(H,76,88)(H,77,89)(H,78,90)/t16-,17-,22+,23+,24+,25+,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+/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](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[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](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[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/C74H124N4O54/c1-16-35(91)46(102)52(108)68(113-16)131-62-50(106)39(95)23(8-80)119-72(62)126-57-33(77-20(5)89)66(116-26(11-83)41(57)97)129-60-48(104)37(93)22(7-79)118-71(60)112-15-30-43(99)59(54(110)70(123-30)125-56-29(14-86)122-65(32(45(56)101)76-19(4)88)124-55-28(13-85)115-64(111)31(44(55)100)75-18(3)87)128-74-61(49(105)38(94)25(10-82)121-74)130-67-34(78-21(6)90)58(42(98)27(12-84)117-67)127-73-63(51(107)40(96)24(9-81)120-73)132-69-53(109)47(103)36(92)17(2)114-69/h16-17,22-74,79-86,91-111H,7-15H2,1-6H3,(H,75,87)(H,76,88)(H,77,89)(H,78,90)/t16-,17-,22+,23+,24+,25+,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+/m0/s1 Image of MNXM102558
SMILES (mnx)[CH3:1][C@H:16]1[C@@H:35]([OH:91])[C@@H:46]([OH:102])[C@H:52]([OH:108])[C@H:68]([O:131][C@@H:62]2[C@@H:50]([OH:106])[C@@H:39]([OH:95])[C@@H:23]([CH2:8][OH:80])[O:119][C@H:72]2[O:126][C@@H:57]2[C@@H:33]([N:77]=[C:20]([CH3:5])[OH:89])[C@H:66]([O:129][C@H:60]3[C@@H:48]([OH:104])[C@H:37]([OH:93])[C@@H:22]([CH2:7][OH:79])[O:118][C@@H:71]3[O:112][CH2:15][C@@H:30]3[C@@H:43]([OH:99])[C@H:59]([O:128][C@@H:74]4[C@@H:61]([O:130][C@H:67]5[C@H:34]([N:78]=[C:21]([CH3:6])[OH:90])[C@@H:58]([O:127][C@H:73]6[C@H:63]([O:132][C@H:69]7[C@@H:53]([OH:109])[C@H:47]([OH:103])[C@H:36]([OH:92])[C@H:17]([CH3:2])[O:114]7)[C@@H:51]([OH:107])[C@@H:40]([OH:96])[C@@H:24]([CH2:9][OH:81])[O:120]6)[C@H:42]([OH:98])[C@@H:27]([CH2:12][OH:84])[O:117]5)[C@@H:49]([OH:105])[C@H:38]([OH:94])[C@@H:25]([CH2:10][OH:82])[O:121]4)[C@H:54]([OH:110])[C@H:70]([O:125][C@@H:56]4[C@@H:29]([CH2:14][OH:86])[O:122][C@@H:65]([O:124][C@@H:55]5[C@@H:28]([CH2:13][OH:85])[O:115][C@@H:64]([OH:111])[C@H:31]([N:75]=[C:18]([CH3:3])[OH:87])[C@H:44]5[OH:100])[C@H:32]([N:76]=[C:19]([CH3:4])[OH:88])[C@H:45]4[OH:101])[O:123]3)[O:116][C@H:26]([CH2:11][OH:83])[C@H:41]2[OH:97])[O:113]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:65269
chebi:65269
BJGRWHUEHBUNMV-DXDVLYSCSA-N 		alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc
6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)-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
6-deoxy-alpha-L-galactosyl-(1->2)-beta-D-galactosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucosyl-(1->2)-alpha-D-mannosyl-(1->3)-[6-deoxy-alpha-L-galactosyl-(1->2)-beta-D-galactosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucosyl-(1->2)-alpha-D-mannosyl-(1->6)]-beta-D-mannosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucose
Fuca1-2Galb1-3GlcNAcb1-2Mana1-6(Fuca1-2Galb1-3GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb
Fucalpha1-2Galbeta1-3GlcNAcbeta1-2Manalpha1-3(Fucalpha1-2Galbeta1-3GlcNAcbeta1-2Manalpha1-6)Manbeta1-4GlcNAcbeta1-4GlcNAcbeta
O-6-deoxy-alpha-L-galactopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-O-alpha-D-mannopyranosyl-(1->3)-O-[O-6-deoxy-alpha-L-galactopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-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-beta-D-glucopyranose
WURCS=2.0/5,11,10/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-5-3-1-4-5/a4-b1_b4-c1_c3-d1_c6-h1_d2-e1_e3-f1_f2-g1_h2-i1_i3-j1_j2-k1
alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc