N-Acetyl-D-galactosaminyl-N-Acetyl-D-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide

Properties Image MNX_ID MNXM1104413 reference biggM:M02197 formula C53H92N3O28* 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]3O[C@H](CO)[C@H](O)[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](O)[C@H]5NC(C)=O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C54H95N3O28/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(66)28(55-25(2)63)24-76-52-43(73)41(71)46(33(22-61)80-52)82-53-44(74)42(72)47(34(23-62)81-53)83-54-45(75)49(39(69)32(21-60)79-54)85-51-36(57-27(4)65)48(38(68)31(20-59)78-51)84-50-35(56-26(3)64)40(70)37(67)30(19-58)77-50/h17-18,28-54,58-62,66-75H,5-16,19-24H2,1-4H3,(H,55,63)(H,56,64)(H,57,65)/b18-17+/t28-,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+/m0/s1/i2+1 SMILES (mnx) [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]/[CH:17]=[CH:18]/[C@H:29]([C@H:28]([CH2:24][O:76][C@H:52]1[C@H:43]([OH:73])[C@@H:41]([OH:71])[C@H:46]([O:82][C@H:53]2[C@H:44]([OH:74])[C@@H:42]([OH:72])[C@@H:47]([O:83][C@@H:54]3[C@H:45]([OH:75])[C@@H:49]([O:85][C@H:51]4[C@H:36]([N:57]=[C:27]([CH3:4])[OH:65])[C@@H:48]([O:84][C@@H:50]5[C@H:35]([N:56]=[C:26]([CH3:3])[OH:64])[C@@H:40]([OH:70])[C@@H:37]([OH:67])[C@@H:30]([CH2:19][OH:58])[O:77]5)[C@@H:38]([OH:68])[C@@H:31]([CH2:20][OH:59])[O:78]4)[C@@H:39]([OH:69])[C@@H:32]([CH2:21][OH:60])[O:79]3)[C@@H:34]([CH2:23][OH:62])[O:81]2)[C@@H:33]([CH2:22][OH:61])[O:80]1)[N:55]=[C:25]([13CH3:2])[OH:63])[OH:66]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 2