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

PropertiesImage
MNX_IDMNXM102498 Image of MNXM102498
referencechebi:68466
formulaC86H144N4O64
global charge0
mol weight2258.062
InChIKeyUUULGEIIKBRVQT-XROHLMQOSA-N
InChIInChI=1S/C86H144N4O64/c1-18-39(105)52(118)58(124)78(131-18)153-72-68(149-80-60(126)54(120)41(107)24(7-91)136-80)47(113)30(13-97)140-85(72)146-65-37(89-22(5)103)76(134-28(11-95)45(65)111)151-70-56(122)43(109)26(9-93)138-83(70)130-17-34-49(115)67(62(128)82(143-34)145-64-33(16-100)142-75(36(51(64)117)88-21(4)102)144-63-32(15-99)133-74(129)35(50(63)116)87-20(3)101)148-84-71(57(123)44(110)27(10-94)139-84)152-77-38(90-23(6)104)66(46(112)29(12-96)135-77)147-86-73(154-79-59(125)53(119)40(106)19(2)132-79)69(48(114)31(14-98)141-86)150-81-61(127)55(121)42(108)25(8-92)137-81/h18-19,24-86,91-100,105-129H,7-17H2,1-6H3,(H,87,101)(H,88,102)(H,89,103)(H,90,104)/t18-,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+,81+,82-,83-,84+,85-,86-/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]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[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]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[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/C86H144N4O64/c1-18-39(105)52(118)58(124)78(131-18)153-72-68(149-80-60(126)54(120)41(107)24(7-91)136-80)47(113)30(13-97)140-85(72)146-65-37(89-22(5)103)76(134-28(11-95)45(65)111)151-70-56(122)43(109)26(9-93)138-83(70)130-17-34-49(115)67(62(128)82(143-34)145-64-33(16-100)142-75(36(51(64)117)88-21(4)102)144-63-32(15-99)133-74(129)35(50(63)116)87-20(3)101)148-84-71(57(123)44(110)27(10-94)139-84)152-77-38(90-23(6)104)66(46(112)29(12-96)135-77)147-86-73(154-79-59(125)53(119)40(106)19(2)132-79)69(48(114)31(14-98)141-86)150-81-61(127)55(121)42(108)25(8-92)137-81/h18-19,24-86,91-100,105-129H,7-17H2,1-6H3,(H,87,101)(H,88,102)(H,89,103)(H,90,104)/t18-,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+,81+,82-,83-,84+,85-,86-/m0/s1 Image of MNXM102498
SMILES (mnx)[CH3:1][C@H:18]1[C@@H:39]([OH:105])[C@@H:52]([OH:118])[C@H:58]([OH:124])[C@H:78]([O:153][C@@H:72]2[C@@H:68]([O:149][C@@H:80]3[C@H:60]([OH:126])[C@@H:54]([OH:120])[C@@H:41]([OH:107])[C@@H:24]([CH2:7][OH:91])[O:136]3)[C@@H:47]([OH:113])[C@@H:30]([CH2:13][OH:97])[O:140][C@H:85]2[O:146][C@@H:65]2[C@@H:37]([N:89]=[C:22]([CH3:5])[OH:103])[C@H:76]([O:151][C@H:70]3[C@@H:56]([OH:122])[C@H:43]([OH:109])[C@@H:26]([CH2:9][OH:93])[O:138][C@@H:83]3[O:130][CH2:17][C@@H:34]3[C@@H:49]([OH:115])[C@H:67]([O:148][C@@H:84]4[C@@H:71]([O:152][C@H:77]5[C@H:38]([N:90]=[C:23]([CH3:6])[OH:104])[C@@H:66]([O:147][C@H:86]6[C@H:73]([O:154][C@H:79]7[C@@H:59]([OH:125])[C@H:53]([OH:119])[C@H:40]([OH:106])[C@H:19]([CH3:2])[O:132]7)[C@@H:69]([O:150][C@@H:81]7[C@H:61]([OH:127])[C@@H:55]([OH:121])[C@@H:42]([OH:108])[C@@H:25]([CH2:8][OH:92])[O:137]7)[C@@H:48]([OH:114])[C@@H:31]([CH2:14][OH:98])[O:141]6)[C@H:46]([OH:112])[C@@H:29]([CH2:12][OH:96])[O:135]5)[C@@H:57]([OH:123])[C@H:44]([OH:110])[C@@H:27]([CH2:10][OH:94])[O:139]4)[C@H:62]([OH:128])[C@H:82]([O:145][C@@H:64]4[C@@H:33]([CH2:16][OH:100])[O:142][C@@H:75]([O:144][C@@H:63]5[C@@H:32]([CH2:15][OH:99])[O:133][C@@H:74]([OH:129])[C@H:35]([N:87]=[C:20]([CH3:3])[OH:101])[C@H:50]5[OH:116])[C@H:36]([N:88]=[C:21]([CH3:4])[OH:102])[C@H:51]4[OH:117])[O:143]3)[O:134][C@H:28]([CH2:11][OH:95])[C@H:45]2[OH:111])[O:131]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:68466
chebi:68466
UUULGEIIKBRVQT-XROHLMQOSA-N 		alpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-{alpha-D-Gal-(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
6-deoxy-alpha-L-galactopyranosyl-(1->2)-[alpha-D-galactopyranosyl-(1->3)]-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)-[alpha-D-galactopyranosyl-(1->3)]-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
Gala1-3(Fuca1-2)Galb1-3GlcNAcb1-2Mana1-6(Gala1-3(Fuca1-2)Galb1-3GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb
Galalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-2Manalpha1-3[Galalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-2Manalpha1-6]Manbeta1-4GlcNAcbeta1-4GlcNAcbeta
O-6-deoxy-alpha-L-galactopyranosyl-(1->2)-O-[alpha-D-galactopyranosyl-(1->3)]-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-[alpha-D-galactopyranosyl-(1->3)]-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
alpha-D-Galp-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-{alpha-D-Galp-(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-GlcNAc
alpha-L-fucosyl-(1->2)-[alpha-D-galactosyl-(1->3)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-(1->3)-[alpha-L-fucosyl-(1->2)-[alpha-D-galactosyl-(1->3)]-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-glucopyranose, O-6-deoxy-alpha-L-galactopyranosyl-(1->2)-O-[alpha-D-galactopyranosyl-(1->3)]-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-[alpha-D-galactopyranosyl-(1->3)]-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-