Search MNXref
 Feedback

beta-D-GalpNAc-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[beta-D-GalpNAc-(1->4)-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_IDMNXM103134 Image of MNXM103134
referencechebi:147732
formulaC66H110N6O46
global charge0
mol weight1723.602
InChIKeyYKZSVLXVPPCXHV-SKWMGFDDSA-N
InChIInChI=1S/C66H110N6O46/c1-16(81)67-31-44(94)51(26(11-77)103-58(31)101)112-61-34(70-19(4)84)47(97)54(29(14-80)108-61)115-64-50(100)55(116-66-57(49(99)40(90)25(10-76)107-66)118-63-36(72-21(6)86)46(96)53(28(13-79)110-63)114-60-33(69-18(3)83)43(93)38(88)23(8-74)105-60)41(91)30(111-64)15-102-65-56(48(98)39(89)24(9-75)106-65)117-62-35(71-20(5)85)45(95)52(27(12-78)109-62)113-59-32(68-17(2)82)42(92)37(87)22(7-73)104-59/h22-66,73-80,87-101H,7-15H2,1-6H3,(H,67,81)(H,68,82)(H,69,83)(H,70,84)(H,71,85)(H,72,86)/t22-,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-/m1/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](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[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](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[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/C66H110N6O46/c1-16(81)67-31-44(94)51(26(11-77)103-58(31)101)112-61-34(70-19(4)84)47(97)54(29(14-80)108-61)115-64-50(100)55(116-66-57(49(99)40(90)25(10-76)107-66)118-63-36(72-21(6)86)46(96)53(28(13-79)110-63)114-60-33(69-18(3)83)43(93)38(88)23(8-74)105-60)41(91)30(111-64)15-102-65-56(48(98)39(89)24(9-75)106-65)117-62-35(71-20(5)85)45(95)52(27(12-78)109-62)113-59-32(68-17(2)82)42(92)37(87)22(7-73)104-59/h22-66,73-80,87-101H,7-15H2,1-6H3,(H,67,81)(H,68,82)(H,69,83)(H,70,84)(H,71,85)(H,72,86)/t22-,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-/m1/s1 Image of MNXM103134
SMILES (mnx)[CH3:1][C:16](=[N:67][C@@H:31]1[C@@H:44]([OH:94])[C@H:51]([O:112][C@H:61]2[C@H:34]([N:70]=[C:19]([CH3:4])[OH:84])[C@@H:47]([OH:97])[C@H:54]([O:115][C@H:64]3[C@@H:50]([OH:100])[C@@H:55]([O:116][C@@H:66]4[C@@H:57]([O:118][C@H:63]5[C@H:36]([N:72]=[C:21]([CH3:6])[OH:86])[C@@H:46]([OH:96])[C@H:53]([O:114][C@H:60]6[C@H:33]([N:69]=[C:18]([CH3:3])[OH:83])[C@@H:43]([OH:93])[C@@H:38]([OH:88])[C@@H:23]([CH2:8][OH:74])[O:105]6)[C@@H:28]([CH2:13][OH:79])[O:110]5)[C@@H:49]([OH:99])[C@H:40]([OH:90])[C@@H:25]([CH2:10][OH:76])[O:107]4)[C@H:41]([OH:91])[C@@H:30]([CH2:15][O:102][C@@H:65]4[C@@H:56]([O:117][C@H:62]5[C@H:35]([N:71]=[C:20]([CH3:5])[OH:85])[C@@H:45]([OH:95])[C@H:52]([O:113][C@H:59]6[C@H:32]([N:68]=[C:17]([CH3:2])[OH:82])[C@@H:42]([OH:92])[C@@H:37]([OH:87])[C@@H:22]([CH2:7][OH:73])[O:104]6)[C@@H:27]([CH2:12][OH:78])[O:109]5)[C@@H:48]([OH:98])[C@H:39]([OH:89])[C@@H:24]([CH2:9][OH:75])[O:106]4)[O:111]3)[C@@H:29]([CH2:14][OH:80])[O:108]2)[C@@H:26]([CH2:11][OH:77])[O:103][C@H:58]1[OH:101])[OH:81]
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:147732
chebi:147732
YKZSVLXVPPCXHV-SKWMGFDDSA-N 		beta-D-GalpNAc-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[beta-D-GalpNAc-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc
2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose
2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-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
GalNAc(b1-4)GlcNAc(b1-2)Man(a1-3)[GalNAc(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc(b)
GalNAcb1-4GlcNAcb1-2Mana1-6(GalNAcb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb
GalNAcbeta1-4GlcNAcbeta1-2Manalpha1-3(GalNAcbeta1-4GlcNAcbeta1-2Manalpha1-6)Manbeta1-4GlcNAcbeta1-4GlcNAcbeta
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
N-acetyl-beta-D-galactosaminyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-(1->3)-[N-acetyl-beta-D-galactosaminyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-(1->6)]-beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosyl-(1->4)-N-acetyl-beta-D-glucose
O-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-O-alpha-D-mannopyranosyl-(1->3)-O-[O-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1->4)-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=2.0/5,9,8/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4-2-5-4-2-5/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_e4-f1_g2-h1_h4-i1
beta-D-GalNAc-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GalNAc-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc

CHEBI:68450
chebi:68450
YKZSVLXVPPCXHV-HSZBMLMUSA-N 		beta-D-GalpNAc-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[beta-D-GalpNAc-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc
2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-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-D-glucopyranose
GalNAcb1-4GlcNAcb1-2Mana1-6(GalNAcb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAc
GalNAcbeta1-4GlcNAcbeta1-2Manalpha1-3(GalNAcbeta1-4GlcNAcbeta1-2Manalpha1-6)Manbeta1-4GlcNAcbeta1-4GlcNAc
N-acetyl-beta-D-galactosaminyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-(1->3)-[N-acetyl-beta-D-galactosaminyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-(1->6)]-beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosyl-(1->4)-N-acetyl-D-glucose
O-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-O-alpha-D-mannopyranosyl-(1->3)-O-[O-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1->4)-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-D-glucopyranose
WURCS=2.0/5,9,8/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4-2-5-4-2-5/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_e4-f1_g2-h1_h4-i1
beta-D-GalNAc-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GalNAc-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc