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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)-[alpha-L-Fucp-(1->6)]-beta-D-GlcpNAc

PropertiesImage
MNX_IDMNXM1128501 Image of MNXM1128501
referencechebi:166861
formulaC96H160N6O68
global charge0
mol weight2486.31
InChIKeyJFKATWZZJOSRPH-DYBDQKCVSA-N
InChIInChI=1S/C96H160N6O68/c1-21-47(118)63(134)68(139)89(146-21)144-20-40-73(61(132)41(83(143)149-40)97-24(4)112)160-86-44(100-27(7)115)62(133)72(38(18-111)158-86)161-92-71(142)76(164-94-80(67(138)53(124)33(13-106)155-94)168-88-46(102-29(9)117)75(55(126)35(15-108)153-88)163-96-82(170-91-70(141)65(136)49(120)23(3)148-91)78(57(128)37(17-110)157-96)166-85-43(99-26(6)114)60(131)51(122)31(11-104)151-85)58(129)39(159-92)19-145-93-79(66(137)52(123)32(12-105)154-93)167-87-45(101-28(8)116)74(54(125)34(14-107)152-87)162-95-81(169-90-69(140)64(135)48(119)22(2)147-90)77(56(127)36(16-109)156-95)165-84-42(98-25(5)113)59(130)50(121)30(10-103)150-84/h21-23,30-96,103-111,118-143H,10-20H2,1-9H3,(H,97,112)(H,98,113)(H,99,114)(H,100,115)(H,101,116)(H,102,117)/t21-,22-,23-,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-,91-,92-,93-,94+,95-,96-/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[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/C96H160N6O68/c1-21-47(118)63(134)68(139)89(146-21)144-20-40-73(61(132)41(83(143)149-40)97-24(4)112)160-86-44(100-27(7)115)62(133)72(38(18-111)158-86)161-92-71(142)76(164-94-80(67(138)53(124)33(13-106)155-94)168-88-46(102-29(9)117)75(55(126)35(15-108)153-88)163-96-82(170-91-70(141)65(136)49(120)23(3)148-91)78(57(128)37(17-110)157-96)166-85-43(99-26(6)114)60(131)51(122)31(11-104)151-85)58(129)39(159-92)19-145-93-79(66(137)52(123)32(12-105)154-93)167-87-45(101-28(8)116)74(54(125)34(14-107)152-87)162-95-81(169-90-69(140)64(135)48(119)22(2)147-90)77(56(127)36(16-109)156-95)165-84-42(98-25(5)113)59(130)50(121)30(10-103)150-84/h21-23,30-96,103-111,118-143H,10-20H2,1-9H3,(H,97,112)(H,98,113)(H,99,114)(H,100,115)(H,101,116)(H,102,117)/t21-,22-,23-,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-,91-,92-,93-,94+,95-,96-/m0/s1 Image of MNXM1128501
SMILES (mnx)[CH3:1][C@H:21]1[C@@H:47]([OH:118])[C@@H:63]([OH:134])[C@H:68]([OH:139])[C@H:89]([O:144][CH2:20][C@@H:40]2[C@@H:73]([O:160][C@H:86]3[C@H:44]([N:100]=[C:27]([CH3:7])[OH:115])[C@@H:62]([OH:133])[C@H:72]([O:161][C@H:92]4[C@@H:71]([OH:142])[C@@H:76]([O:164][C@@H:94]5[C@@H:80]([O:168][C@H:88]6[C@H:46]([N:102]=[C:29]([CH3:9])[OH:117])[C@@H:75]([O:163][C@H:96]7[C@H:82]([O:170][C@H:91]8[C@@H:70]([OH:141])[C@H:65]([OH:136])[C@H:49]([OH:120])[C@H:23]([CH3:3])[O:148]8)[C@@H:78]([O:166][C@@H:85]8[C@H:43]([N:99]=[C:26]([CH3:6])[OH:114])[C@@H:60]([OH:131])[C@@H:51]([OH:122])[C@@H:31]([CH2:11][OH:104])[O:151]8)[C@@H:57]([OH:128])[C@@H:37]([CH2:17][OH:110])[O:157]7)[C@H:55]([OH:126])[C@@H:35]([CH2:15][OH:108])[O:153]6)[C@@H:67]([OH:138])[C@H:53]([OH:124])[C@@H:33]([CH2:13][OH:106])[O:155]5)[C@H:58]([OH:129])[C@@H:39]([CH2:19][O:145][C@@H:93]5[C@@H:79]([O:167][C@H:87]6[C@H:45]([N:101]=[C:28]([CH3:8])[OH:116])[C@@H:74]([O:162][C@H:95]7[C@H:81]([O:169][C@H:90]8[C@@H:69]([OH:140])[C@H:64]([OH:135])[C@H:48]([OH:119])[C@H:22]([CH3:2])[O:147]8)[C@@H:77]([O:165][C@@H:84]8[C@H:42]([N:98]=[C:25]([CH3:5])[OH:113])[C@@H:59]([OH:130])[C@@H:50]([OH:121])[C@@H:30]([CH2:10][OH:103])[O:150]8)[C@@H:56]([OH:127])[C@@H:36]([CH2:16][OH:109])[O:156]7)[C@H:54]([OH:125])[C@@H:34]([CH2:14][OH:107])[O:152]6)[C@@H:66]([OH:137])[C@H:52]([OH:123])[C@@H:32]([CH2:12][OH:105])[O:154]5)[O:159]4)[C@@H:38]([CH2:18][OH:111])[O:158]3)[C@H:61]([OH:132])[C@@H:41]([N:97]=[C:24]([CH3:4])[OH:112])[C@H:83]([OH:143])[O:149]2)[O:146]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:166861
chebi:166861
JFKATWZZJOSRPH-DYBDQKCVSA-N 		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)-[alpha-L-Fucp-(1->6)]-beta-D-GlcpNAc
2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(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->3)-{2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(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)-[6-deoxy-alpha-L-galactopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranose
2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[alpha-L-fucopyranosyl-(1->2)]-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-{2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[alpha-L-fucopyranosyl-(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)-[alpha-L-fucopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranose
Fucalpha1-2(GalNAcalpha1-3)Galbeta1-3GlcNAcbeta1-2Manalpha1-6(Fucalpha1-2(GalNAcalpha1-3)Galbeta1-3GlcNAcbeta1-2Manalpha1-3)Manbeta1-4GlcNAcbeta1-4(Fucalpha1-6)GlcNAcbeta
GalNAca1-3(Fuca1-2)Galb1-3GlcNAcb1-2Mana1-6(GalNAca1-3(Fuca1-2)Galb1-3GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4(Fuca1-6)GlcNAcb
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->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)-[alpha-L-fucosyl-(1->6)]-N-acetyl-beta-D-glucosamine
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)-[alpha-L-Fuc-(1->6)]-beta-D-GlcNAc