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N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4-[(2R,3S,4S,5S,6R)-3,5-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

PropertiesImage
MNX_IDMNXM1112904 Image of MNXM1112904
referencechebi:146928
formulaC78H130N6O56
global charge0
mol weight2047.884
InChIKeyOZHYBFWXMXGTEU-KIJRDSEFSA-N
InChIInChI=1S/C78H130N6O56/c1-18(94)79-35-49(108)60(28(11-89)122-68(35)119)133-72-39(83-22(5)98)51(110)63(31(14-92)128-72)137-76-59(118)65(138-78-67(140-71-37(81-20(3)96)48(107)42(101)25(8-86)124-71)58(117)64(32(15-93)130-78)134-70-36(80-19(2)95)47(106)41(100)24(7-85)123-70)46(105)34(131-76)17-121-77-66(139-73-40(84-23(6)99)52(111)62(30(13-91)129-73)136-75-57(116)54(113)44(103)27(10-88)126-75)55(114)45(104)33(132-77)16-120-69-38(82-21(4)97)50(109)61(29(12-90)127-69)135-74-56(115)53(112)43(102)26(9-87)125-74/h24-78,85-93,100-119H,7-17H2,1-6H3,(H,79,94)(H,80,95)(H,81,96)(H,82,97)(H,83,98)(H,84,99)/t24-,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-/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]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[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]5O)[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]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](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/C78H130N6O56/c1-18(94)79-35-49(108)60(28(11-89)122-68(35)119)133-72-39(83-22(5)98)51(110)63(31(14-92)128-72)137-76-59(118)65(138-78-67(140-71-37(81-20(3)96)48(107)42(101)25(8-86)124-71)58(117)64(32(15-93)130-78)134-70-36(80-19(2)95)47(106)41(100)24(7-85)123-70)46(105)34(131-76)17-121-77-66(139-73-40(84-23(6)99)52(111)62(30(13-91)129-73)136-75-57(116)54(113)44(103)27(10-88)126-75)55(114)45(104)33(132-77)16-120-69-38(82-21(4)97)50(109)61(29(12-90)127-69)135-74-56(115)53(112)43(102)26(9-87)125-74/h24-78,85-93,100-119H,7-17H2,1-6H3,(H,79,94)(H,80,95)(H,81,96)(H,82,97)(H,83,98)(H,84,99)/t24-,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-/m1/s1 Image of MNXM1112904
SMILES (mnx)[CH3:1][C:18](=[N:79][C@@H:35]1[C@@H:49]([OH:108])[C@H:60]([O:133][C@H:72]2[C@H:39]([N:83]=[C:22]([CH3:5])[OH:98])[C@@H:51]([OH:110])[C@H:63]([O:137][C@H:76]3[C@@H:59]([OH:118])[C@@H:65]([O:138][C@@H:78]4[C@@H:67]([O:140][C@H:71]5[C@H:37]([N:81]=[C:20]([CH3:3])[OH:96])[C@@H:48]([OH:107])[C@H:42]([OH:101])[C@@H:25]([CH2:8][OH:86])[O:124]5)[C@@H:58]([OH:117])[C@H:64]([O:134][C@H:70]5[C@H:36]([N:80]=[C:19]([CH3:2])[OH:95])[C@@H:47]([OH:106])[C@H:41]([OH:100])[C@@H:24]([CH2:7][OH:85])[O:123]5)[C@@H:32]([CH2:15][OH:93])[O:130]4)[C@H:46]([OH:105])[C@@H:34]([CH2:17][O:121][C@@H:77]4[C@@H:66]([O:139][C@H:73]5[C@H:40]([N:84]=[C:23]([CH3:6])[OH:99])[C@@H:52]([OH:111])[C@H:62]([O:136][C@H:75]6[C@H:57]([OH:116])[C@@H:54]([OH:113])[C@@H:44]([OH:103])[C@@H:27]([CH2:10][OH:88])[O:126]6)[C@@H:30]([CH2:13][OH:91])[O:129]5)[C@@H:55]([OH:114])[C@H:45]([OH:104])[C@@H:33]([CH2:16][O:120][C@H:69]5[C@H:38]([N:82]=[C:21]([CH3:4])[OH:97])[C@@H:50]([OH:109])[C@H:61]([O:135][C@H:74]6[C@H:56]([OH:115])[C@@H:53]([OH:112])[C@@H:43]([OH:102])[C@@H:26]([CH2:9][OH:87])[O:125]6)[C@@H:29]([CH2:12][OH:90])[O:127]5)[O:132]4)[O:131]3)[C@@H:31]([CH2:14][OH:92])[O:128]2)[C@@H:28]([CH2:11][OH:89])[O:122][C@H:68]1[OH:119])[OH:94]
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:146928
chebi:146928
OZHYBFWXMXGTEU-KIJRDSEFSA-N 		N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4-[(2R,3S,4S,5S,6R)-3,5-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[GlcNAc(b1-2)[GlcNAc(b1-4)]Man(a1-3)]Man(b1-4)GlcNAc(b1-4)b-GlcNAc
WURCS=2.0/4,11,10/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5]/1-1-2-3-1-1-3-1-4-1-4/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_d4-f1_g2-h1_g6-j1_h4-i1_j4-k1
beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose

CHEBI:155699
chebi:155699
OZHYBFWXMXGTEU-PQQLKERASA-N 		N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4-[(2R,3S,4S,5S,6R)-3,5-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[GlcNAc(b1-2)[GlcNAc(b1-4)]Man(a1-3)]Man(b1-4)GlcNAc(b1-4)GlcNAc
WURCS=2.0/5,11,10/[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]/1-2-3-4-2-2-4-2-5-2-5/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_d4-f1_g2-h1_g6-j1_h4-i1_j4-k1
beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranose