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alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-{alpha-D-GalNAc-(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_IDMNXM102503 Image of MNXM102503
referencechebi:67220
formulaC90H150N6O64
global charge0
mol weight2340.168
InChIKeyQCMIPDHVPVZONA-ZVNBLOGOSA-N
InChIInChI=1S/C90H150N6O64/c1-20-45(113)60(128)64(132)84(137-20)159-76-72(155-79-40(92-23(4)108)56(124)47(115)28(9-97)140-79)53(121)34(15-103)146-89(76)152-69-43(95-26(7)111)82(142-32(13-101)51(69)119)157-74-62(130)49(117)30(11-99)144-87(74)136-19-38-55(123)71(66(134)86(149-38)151-68-37(18-106)148-81(42(59(68)127)94-25(6)110)150-67-36(17-105)139-78(135)39(58(67)126)91-22(3)107)154-88-75(63(131)50(118)31(12-100)145-88)158-83-44(96-27(8)112)70(52(120)33(14-102)143-83)153-90-77(160-85-65(133)61(129)46(114)21(2)138-85)73(54(122)35(16-104)147-90)156-80-41(93-24(5)109)57(125)48(116)29(10-98)141-80/h20-21,28-90,97-106,113-135H,9-19H2,1-8H3,(H,91,107)(H,92,108)(H,93,109)(H,94,110)(H,95,111)(H,96,112)/t20-,21-,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-,87-,88+,89-,90-/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]6NC(C)=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]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(C)=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/C90H150N6O64/c1-20-45(113)60(128)64(132)84(137-20)159-76-72(155-79-40(92-23(4)108)56(124)47(115)28(9-97)140-79)53(121)34(15-103)146-89(76)152-69-43(95-26(7)111)82(142-32(13-101)51(69)119)157-74-62(130)49(117)30(11-99)144-87(74)136-19-38-55(123)71(66(134)86(149-38)151-68-37(18-106)148-81(42(59(68)127)94-25(6)110)150-67-36(17-105)139-78(135)39(58(67)126)91-22(3)107)154-88-75(63(131)50(118)31(12-100)145-88)158-83-44(96-27(8)112)70(52(120)33(14-102)143-83)153-90-77(160-85-65(133)61(129)46(114)21(2)138-85)73(54(122)35(16-104)147-90)156-80-41(93-24(5)109)57(125)48(116)29(10-98)141-80/h20-21,28-90,97-106,113-135H,9-19H2,1-8H3,(H,91,107)(H,92,108)(H,93,109)(H,94,110)(H,95,111)(H,96,112)/t20-,21-,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-,87-,88+,89-,90-/m0/s1 Image of MNXM102503
SMILES (mnx)[CH3:1][C@H:20]1[C@@H:45]([OH:113])[C@@H:60]([OH:128])[C@H:64]([OH:132])[C@H:84]([O:159][C@@H:76]2[C@@H:72]([O:155][C@@H:79]3[C@H:40]([N:92]=[C:23]([CH3:4])[OH:108])[C@@H:56]([OH:124])[C@@H:47]([OH:115])[C@@H:28]([CH2:9][OH:97])[O:140]3)[C@@H:53]([OH:121])[C@@H:34]([CH2:15][OH:103])[O:146][C@H:89]2[O:152][C@@H:69]2[C@@H:43]([N:95]=[C:26]([CH3:7])[OH:111])[C@H:82]([O:157][C@H:74]3[C@@H:62]([OH:130])[C@H:49]([OH:117])[C@@H:30]([CH2:11][OH:99])[O:144][C@@H:87]3[O:136][CH2:19][C@@H:38]3[C@@H:55]([OH:123])[C@H:71]([O:154][C@@H:88]4[C@@H:75]([O:158][C@H:83]5[C@H:44]([N:96]=[C:27]([CH3:8])[OH:112])[C@@H:70]([O:153][C@H:90]6[C@H:77]([O:160][C@H:85]7[C@@H:65]([OH:133])[C@H:61]([OH:129])[C@H:46]([OH:114])[C@H:21]([CH3:2])[O:138]7)[C@@H:73]([O:156][C@@H:80]7[C@H:41]([N:93]=[C:24]([CH3:5])[OH:109])[C@@H:57]([OH:125])[C@@H:48]([OH:116])[C@@H:29]([CH2:10][OH:98])[O:141]7)[C@@H:54]([OH:122])[C@@H:35]([CH2:16][OH:104])[O:147]6)[C@H:52]([OH:120])[C@@H:33]([CH2:14][OH:102])[O:143]5)[C@@H:63]([OH:131])[C@H:50]([OH:118])[C@@H:31]([CH2:12][OH:100])[O:145]4)[C@H:66]([OH:134])[C@H:86]([O:151][C@@H:68]4[C@@H:37]([CH2:18][OH:106])[O:148][C@@H:81]([O:150][C@@H:67]5[C@@H:36]([CH2:17][OH:105])[O:139][C@@H:78]([OH:135])[C@H:39]([N:91]=[C:22]([CH3:3])[OH:107])[C@H:58]5[OH:126])[C@H:42]([N:94]=[C:25]([CH3:6])[OH:110])[C@H:59]4[OH:127])[O:149]3)[O:142][C@H:32]([CH2:13][OH:101])[C@H:51]2[OH:119])[O:137]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:67220
chebi:67220
QCMIPDHVPVZONA-ZVNBLOGOSA-N 		alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-{alpha-D-GalNAc-(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
GalNAca1-3(Fuca1-2)Galb1-3GlcNAcb1-2Mana1-6(GalNAca1-3(Fuca1-2)Galb1-3GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb
GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-2Manalpha1-3[GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-2Manalpha1-6]Manbeta1-4GlcNAcbeta1-4GlcNAcbeta
N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-Gal-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-(1->3)-{N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-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
WURCS=2.0/6,13,12/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-1-2-3-1-4-5-6-3-1-4-5-6/a4-b1_b4-c1_c3-d1_c6-i1_d2-e1_e3-f1_f2-g1_f3-h1_i2-j1_j3-k1_k2-l1_k3-m1
alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-{alpha-D-GalpNAc-(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