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beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc-(1->2)-alpha-DMan-(1->3)-{beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc-(1->2)-alpha-DMan-(1->6)}-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-[alpha-L-Fuc-(1->6)]-beta-D-GlcNAc

PropertiesImage
MNX_IDMNXM103062 Image of MNXM103062
referencechebi:68544
formulaC80H134N4O58
global charge0
mol weight2079.922
InChIKeyQUJATTOOVNRXDI-VNAIUMEASA-N
InChIInChI=1S/C80H134N4O58/c1-17-37(96)47(106)54(113)73(122-17)120-16-32-61(45(104)33(69(119)125-32)81-20(4)92)134-70-34(82-21(5)93)46(105)60(28(12-89)130-70)135-78-59(118)66(140-80-68(53(112)43(102)27(11-88)129-80)142-72-36(84-23(7)95)65(139-77-58(117)51(110)41(100)25(9-86)127-77)63(30(14-91)132-72)137-75-56(115)49(108)39(98)19(3)124-75)44(103)31(133-78)15-121-79-67(52(111)42(101)26(10-87)128-79)141-71-35(83-22(6)94)64(138-76-57(116)50(109)40(99)24(8-85)126-76)62(29(13-90)131-71)136-74-55(114)48(107)38(97)18(2)123-74/h17-19,24-80,85-91,96-119H,8-16H2,1-7H3,(H,81,92)(H,82,93)(H,83,94)(H,84,95)/t17-,18-,19-,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-,75-,76-,77-,78-,79-,80+/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](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H](O[C@@H]5O[C@H](CO)[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]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H](O[C@@H]5O[C@H](CO)[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[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/C80H134N4O58/c1-17-37(96)47(106)54(113)73(122-17)120-16-32-61(45(104)33(69(119)125-32)81-20(4)92)134-70-34(82-21(5)93)46(105)60(28(12-89)130-70)135-78-59(118)66(140-80-68(53(112)43(102)27(11-88)129-80)142-72-36(84-23(7)95)65(139-77-58(117)51(110)41(100)25(9-86)127-77)63(30(14-91)132-72)137-75-56(115)49(108)39(98)19(3)124-75)44(103)31(133-78)15-121-79-67(52(111)42(101)26(10-87)128-79)141-71-35(83-22(6)94)64(138-76-57(116)50(109)40(99)24(8-85)126-76)62(29(13-90)131-71)136-74-55(114)48(107)38(97)18(2)123-74/h17-19,24-80,85-91,96-119H,8-16H2,1-7H3,(H,81,92)(H,82,93)(H,83,94)(H,84,95)/t17-,18-,19-,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-,75-,76-,77-,78-,79-,80+/m0/s1 Image of MNXM103062
SMILES (mnx)[CH3:1][C@H:17]1[C@@H:37]([OH:96])[C@@H:47]([OH:106])[C@H:54]([OH:113])[C@H:73]([O:120][CH2:16][C@@H:32]2[C@@H:61]([O:134][C@H:70]3[C@H:34]([N:82]=[C:21]([CH3:5])[OH:93])[C@@H:46]([OH:105])[C@H:60]([O:135][C@H:78]4[C@@H:59]([OH:118])[C@@H:66]([O:140][C@@H:80]5[C@@H:68]([O:142][C@H:72]6[C@H:36]([N:84]=[C:23]([CH3:7])[OH:95])[C@@H:65]([O:139][C@H:77]7[C@H:58]([OH:117])[C@@H:51]([OH:110])[C@@H:41]([OH:100])[C@@H:25]([CH2:9][OH:86])[O:127]7)[C@H:63]([O:137][C@H:75]7[C@@H:56]([OH:115])[C@H:49]([OH:108])[C@H:39]([OH:98])[C@H:19]([CH3:3])[O:124]7)[C@@H:30]([CH2:14][OH:91])[O:132]6)[C@@H:53]([OH:112])[C@H:43]([OH:102])[C@@H:27]([CH2:11][OH:88])[O:129]5)[C@H:44]([OH:103])[C@@H:31]([CH2:15][O:121][C@@H:79]5[C@@H:67]([O:141][C@H:71]6[C@H:35]([N:83]=[C:22]([CH3:6])[OH:94])[C@@H:64]([O:138][C@H:76]7[C@H:57]([OH:116])[C@@H:50]([OH:109])[C@@H:40]([OH:99])[C@@H:24]([CH2:8][OH:85])[O:126]7)[C@H:62]([O:136][C@H:74]7[C@@H:55]([OH:114])[C@H:48]([OH:107])[C@H:38]([OH:97])[C@H:18]([CH3:2])[O:123]7)[C@@H:29]([CH2:13][OH:90])[O:131]6)[C@@H:52]([OH:111])[C@H:42]([OH:101])[C@@H:26]([CH2:10][OH:87])[O:128]5)[O:133]4)[C@@H:28]([CH2:12][OH:89])[O:130]3)[C@H:45]([OH:104])[C@@H:33]([N:81]=[C:20]([CH3:4])[OH:92])[C@H:69]([OH:119])[O:125]2)[O:122]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:68544
chebi:68544
QUJATTOOVNRXDI-VNAIUMEASA-N 		beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc-(1->2)-alpha-DMan-(1->3)-{beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc-(1->2)-alpha-DMan-(1->6)}-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-[alpha-L-Fuc-(1->6)]-beta-D-GlcNAc
6-deoxy-alpha-L-galactopyranosyl-(1->6)-[6-deoxy-alpha-L-galactopyranosyl-(1->4)-[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->4)-[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
Fuca1-4(Galb1-3)GlcNAcb1-2Mana1-6(Fuca1-4(Galb1-3)GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb
Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-2Manalpha1-3[Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-2Manalpha1-6]Manbeta1-4GlcNAcbeta1-4(Fucalpha1-6)GlcNAcbeta
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]/1-1-2-3-1-4-5-3-1-4-5-5/a4-b1_a6-l1_b4-c1_c3-d1_c6-h1_d2-e1_e3-f1_e4-g1_h2-i1_i3-j1_i4-k1
alpha-L-fucosyl-(1->6)-[alpha-L-fucosyl-(1->4)-[beta-D-galactosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-(1->3)-[alpha-L-galactosyl-(1->4)-[beta-D-galactosyl-(1->3)]-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
beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-beta-D-GlcpNAc-(1->2)-alpha-DManp-(1->3)-{beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-beta-D-GlcpNAc-(1->2)-alpha-DManp-(1->6)}-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-[alpha-L-Fucp-(1->6)]-beta-D-GlcpNAc