N-Acetyl-D-glucosaminyl-1,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide

Properties Image MNX_ID MNXM736735 reference keggC:C04939 formula C53H92N3O28* global charge 0 mol weight   InChIKey   InChI   SMILES [*]C(=O)NC(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]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)C(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(65)28(55-25(2)62)23-76-52-45(74)43(72)48(33(22-61)81-52)84-54-46(75)49(39(68)31(20-59)79-54)85-51-36(57-27(4)64)41(70)47(32(21-60)80-51)83-53-44(73)42(71)38(67)34(82-53)24-77-50-35(56-26(3)63)40(69)37(66)30(19-58)78-50/h17-18,28-54,58-61,65-75H,5-16,19-24H2,1-4H3,(H,55,62)(H,56,63)(H,57,64)/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+/m1/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]/[CH:29]([CH:28]([CH2:23][O:76][C@H:52]1[C@H:45]([OH:74])[C@@H:43]([OH:72])[C@H:48]([O:84][C@H:54]2[C@H:46]([OH:75])[C@@H:49]([O:85][C@H:51]3[C@H:36]([N:57]=[C:27]([CH3:4])[OH:64])[C@@H:41]([OH:70])[C@H:47]([O:83][C@H:53]4[C@H:44]([OH:73])[C@@H:42]([OH:71])[C@@H:38]([OH:67])[C@@H:34]([CH2:24][O:77][C@H:50]5[C@H:35]([N:56]=[C:26]([CH3:3])[OH:63])[C@@H:40]([OH:69])[C@H:37]([OH:66])[C@@H:30]([CH2:19][OH:58])[O:78]5)[O:82]4)[C@@H:32]([CH2:21][OH:60])[O:80]3)[C@@H:39]([OH:68])[C@@H:31]([CH2:20][OH:59])[O:79]2)[C@@H:33]([CH2:22][OH:61])[O:81]1)[N:55]=[C:25]([13CH3:2])[OH:62])[OH:65]

Parent-child relations graph

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