beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer

Properties Image MNX_ID MNXM7896 reference chebi:90360 formula C50H83N3O37*2 global charge 0 mol weight   InChIKey   InChI   SMILES [*]C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[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]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@@H]([*])O MNX internals InChI (mnx) InChI=1/C52H89N3O37/c1-13(62)18(53-15(3)63)12-79-48-37(76)34(73)41(23(10-60)86-48)88-52-38(77)44(29(68)20(7-57)83-52)91-46-25(54-16(4)64)31(70)40(22(9-59)84-46)87-51-39(78)45(30(69)21(8-58)82-51)92-47-26(55-17(5)65)43(90-49-35(74)32(71)27(66)14(2)80-49)42(24(11-61)85-47)89-50-36(75)33(72)28(67)19(6-56)81-50/h13-14,18-52,56-62,66-78H,6-12H2,1-5H3,(H,53,63)(H,54,64)(H,55,65)/t13-,14+,18+,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+/m1/s1/i1+1,3+1 SMILES (mnx) [13CH3:1][C@H:13]([C@H:18]([CH2:12][O:79][C@H:48]1[C@H:37]([OH:76])[C@@H:34]([OH:73])[C@H:41]([O:88][C@H:52]2[C@H:38]([OH:77])[C@@H:44]([O:91][C@H:46]3[C@H:25]([N:54]=[C:16]([CH3:4])[OH:64])[C@@H:31]([OH:70])[C@H:40]([O:87][C@H:51]4[C@H:39]([OH:78])[C@@H:45]([O:92][C@H:47]5[C@H:26]([N:55]=[C:17]([CH3:5])[OH:65])[C@@H:43]([O:90][C@H:49]6[C@@H:35]([OH:74])[C@H:32]([OH:71])[C@H:27]([OH:66])[C@H:14]([CH3:2])[O:80]6)[C@H:42]([O:89][C@H:50]6[C@H:36]([OH:75])[C@@H:33]([OH:72])[C@@H:28]([OH:67])[C@@H:19]([CH2:6][OH:56])[O:81]6)[C@@H:24]([CH2:11][OH:61])[O:85]5)[C@@H:30]([OH:69])[C@@H:21]([CH2:8][OH:58])[O:82]4)[C@@H:22]([CH2:9][OH:59])[O:84]3)[C@@H:29]([OH:68])[C@@H:20]([CH2:7][OH:57])[O:83]2)[C@@H:23]([CH2:10][OH:60])[O:86]1)[N:53]=[C:15]([13CH3:3])[OH:63])[OH:62]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 9 in models (compartimentalized) 3