Search MNXref
 Feedback

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

PropertiesImage
MNX_IDMNXM1112713 Image of MNXM1112713
referencechebi:146679
formulaC76H127N5O55
global charge0
mol weight1990.832
InChIKeyPGZTUQRNMJTREQ-IPSGOZFRSA-N
InChIInChI=1S/C76H127N5O55/c1-17-38(95)50(107)53(110)71(118-17)116-16-32-61(47(104)33(66(115)119-32)77-18(2)90)130-69-36(80-21(5)93)48(105)59(28(12-87)125-69)132-74-57(114)63(44(101)31(128-74)15-117-75-64(52(109)42(99)26(10-85)124-75)135-68-35(79-20(4)92)46(103)40(97)24(8-83)121-68)134-76-65(55(112)60(30(14-89)127-76)129-67-34(78-19(3)91)45(102)39(96)23(7-82)120-67)136-70-37(81-22(6)94)49(106)58(29(13-88)126-70)131-73-56(113)62(43(100)27(11-86)123-73)133-72-54(111)51(108)41(98)25(9-84)122-72/h17,23-76,82-89,95-115H,7-16H2,1-6H3,(H,77,90)(H,78,91)(H,79,92)(H,80,93)(H,81,94)/t17-,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+,67-,68-,69-,70-,71+,72+,73-,74-,75-,76+/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]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]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](O)[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/C76H127N5O55/c1-17-38(95)50(107)53(110)71(118-17)116-16-32-61(47(104)33(66(115)119-32)77-18(2)90)130-69-36(80-21(5)93)48(105)59(28(12-87)125-69)132-74-57(114)63(44(101)31(128-74)15-117-75-64(52(109)42(99)26(10-85)124-75)135-68-35(79-20(4)92)46(103)40(97)24(8-83)121-68)134-76-65(55(112)60(30(14-89)127-76)129-67-34(78-19(3)91)45(102)39(96)23(7-82)120-67)136-70-37(81-22(6)94)49(106)58(29(13-88)126-70)131-73-56(113)62(43(100)27(11-86)123-73)133-72-54(111)51(108)41(98)25(9-84)122-72/h17,23-76,82-89,95-115H,7-16H2,1-6H3,(H,77,90)(H,78,91)(H,79,92)(H,80,93)(H,81,94)/t17-,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+,67-,68-,69-,70-,71+,72+,73-,74-,75-,76+/m0/s1 Image of MNXM1112713
SMILES (mnx)[CH3:1][C@H:17]1[C@@H:38]([OH:95])[C@@H:50]([OH:107])[C@H:53]([OH:110])[C@H:71]([O:116][CH2:16][C@@H:32]2[C@@H:61]([O:130][C@H:69]3[C@H:36]([N:80]=[C:21]([CH3:5])[OH:93])[C@@H:48]([OH:105])[C@H:59]([O:132][C@H:74]4[C@@H:57]([OH:114])[C@@H:63]([O:134][C@@H:76]5[C@@H:65]([O:136][C@H:70]6[C@H:37]([N:81]=[C:22]([CH3:6])[OH:94])[C@@H:49]([OH:106])[C@H:58]([O:131][C@H:73]7[C@H:56]([OH:113])[C@@H:62]([O:133][C@@H:72]8[C@H:54]([OH:111])[C@@H:51]([OH:108])[C@@H:41]([OH:98])[C@@H:25]([CH2:9][OH:84])[O:122]8)[C@@H:43]([OH:100])[C@@H:27]([CH2:11][OH:86])[O:123]7)[C@@H:29]([CH2:13][OH:88])[O:126]6)[C@@H:55]([OH:112])[C@H:60]([O:129][C@H:67]6[C@H:34]([N:78]=[C:19]([CH3:3])[OH:91])[C@@H:45]([OH:102])[C@H:39]([OH:96])[C@@H:23]([CH2:7][OH:82])[O:120]6)[C@@H:30]([CH2:14][OH:89])[O:127]5)[C@H:44]([OH:101])[C@@H:31]([CH2:15][O:117][C@@H:75]5[C@@H:64]([O:135][C@H:68]6[C@H:35]([N:79]=[C:20]([CH3:4])[OH:92])[C@@H:46]([OH:103])[C@H:40]([OH:97])[C@@H:24]([CH2:8][OH:83])[O:121]6)[C@@H:52]([OH:109])[C@H:42]([OH:99])[C@@H:26]([CH2:10][OH:85])[O:124]5)[O:128]4)[C@@H:28]([CH2:12][OH:87])[O:125]3)[C@H:47]([OH:104])[C@@H:33]([N:77]=[C:18]([CH3:2])[OH:90])[C@H:66]([OH:115])[O:119]2)[O:118]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:146679
chebi:146679
PGZTUQRNMJTREQ-IPSGOZFRSA-N 		N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-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-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide
Gal(a1-3)Gal(b1-4)GlcNAc(b1-2)[GlcNAc(b1-4)]Man(a1-3)[GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAc
WURCS=2.0/6,11,10/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a2112h-1a_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-5-1-3-1-6/a4-b1_a6-k1_b4-c1_c3-d1_c6-i1_d2-e1_d4-h1_e4-f1_f3-g1_i2-j1
alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-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)-[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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose