beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-beta-D-Glcp

Properties Image MNX_ID MNXM43886 reference chebi:59221 formula C56H92N4O42 global charge 0 mol weight 1493.338 InChIKey CCMSKXCJWXHQAI-VRYPMZJXSA-N InChI InChI=1S/C56H92N4O42/c1-14(68)57-27-18(72)5-55(53(86)87,99-44(27)31(76)20(74)7-61)101-46-38(83)51(95-40-24(11-65)90-48(85)37(82)36(40)81)93-26(13-67)42(46)97-50-30(60-17(4)71)43(34(79)23(10-64)92-50)98-52-39(84)47(41(25(12-66)94-52)96-49-29(59-16(3)70)35(80)33(78)22(9-63)91-49)102-56(54(88)89)6-19(73)28(58-15(2)69)45(100-56)32(77)21(75)8-62/h18-52,61-67,72-85H,5-13H2,1-4H3,(H,57,68)(H,58,69)(H,59,70)(H,60,71)(H,86,87)(H,88,89)/t18-,19-,20+,21+,22+,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-,55-,56-/m0/s1 SMILES CC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@@H](O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]4[C@H](O[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5CO)O[C@@H]4CO)[C@@H]3NC(C)=O)O[C@@H]2CO)O[C@H](CO)[C@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C56H92N4O42/c1-14(68)57-27-18(72)5-55(53(86)87,99-44(27)31(76)20(74)7-61)101-46-38(83)51(95-40-24(11-65)90-48(85)37(82)36(40)81)93-26(13-67)42(46)97-50-30(60-17(4)71)43(34(79)23(10-64)92-50)98-52-39(84)47(41(25(12-66)94-52)96-49-29(59-16(3)70)35(80)33(78)22(9-63)91-49)102-56(54(88)89)6-19(73)28(58-15(2)69)45(100-56)32(77)21(75)8-62/h18-52,61-67,72-85H,5-13H2,1-4H3,(H,57,68)(H,58,69)(H,59,70)(H,60,71)(H,86,87)(H,88,89)/t18-,19-,20+,21+,22+,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-,55-,56-/m0/s1 SMILES (mnx) [CH3:1][C:14](=[N:57][C@@H:27]1[C@@H:18]([OH:72])[CH2:5][C@@:55]([C:53](=[O:86])[OH:87])([O:101][C@@H:46]2[C@@H:38]([OH:83])[C@H:51]([O:95][C@@H:40]3[C@@H:24]([CH2:11][OH:65])[O:90][C@@H:48]([OH:85])[C@H:37]([OH:82])[C@H:36]3[OH:81])[O:93][C@H:26]([CH2:13][OH:67])[C@@H:42]2[O:97][C@H:50]2[C@H:30]([N:60]=[C:17]([CH3:4])[OH:71])[C@@H:43]([O:98][C@H:52]3[C@H:39]([OH:84])[C@@H:47]([O:102][C@:56]4([C:54](=[O:88])[OH:89])[CH2:6][C@H:19]([OH:73])[C@@H:28]([N:58]=[C:15]([CH3:2])[OH:69])[C@H:45]([C@@H:32]([C@@H:21]([CH2:8][OH:62])[OH:75])[OH:77])[O:100]4)[C@@H:41]([O:96][C@H:49]4[C@H:29]([N:59]=[C:16]([CH3:3])[OH:70])[C@@H:35]([OH:80])[C@@H:33]([OH:78])[C@@H:22]([CH2:9][OH:63])[O:91]4)[C@@H:25]([CH2:12][OH:66])[O:94]3)[C@@H:34]([OH:79])[C@@H:23]([CH2:10][OH:64])[O:92]2)[O:99][C@H:44]1[C@@H:31]([C@@H:20]([CH2:7][OH:61])[OH:74])[OH:76])[OH:68]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0