alpha-N-glycoloylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide

Properties Image MNX_ID MNXM163298 reference chebi:90383 formula C55H89N4O42*2 global charge -1 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@]7(C(=O)[O-])C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O7)[C@H]6O)[C@H](O)[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/C57H96N4O42/c1-15(70)19(58-16(2)71)14-90-52-39(84)38(83)45(27(12-68)96-52)99-54-41(86)48(34(79)23(8-64)92-54)101-50-30(59-17(3)72)36(81)43(25(10-66)94-50)97-53-40(85)47(33(78)22(7-63)91-53)100-51-31(60-18(4)73)37(82)44(26(11-67)95-51)98-55-42(87)49(35(80)24(9-65)93-55)103-57(56(88)89)5-20(74)29(61-28(76)13-69)46(102-57)32(77)21(75)6-62/h15,19-27,29-55,62-70,74-75,77-87H,5-14H2,1-4H3,(H,58,71)(H,59,72)(H,60,73)(H,61,76)(H,88,89)/t15-,19+,20+,21-,22-,23-,24-,25-,26-,27-,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+,57+/m1/s1/i1+1,2+1 SMILES (mnx) [13CH3:1][C@H:15]([C@H:19]([CH2:14][O:90][C@H:52]1[C@H:39]([OH:84])[C@@H:38]([OH:83])[C@H:45]([O:99][C@H:54]2[C@H:41]([OH:86])[C@@H:48]([O:101][C@H:50]3[C@H:30]([N:59]=[C:17]([CH3:3])[OH:72])[C@@H:36]([OH:81])[C@H:43]([O:97][C@H:53]4[C@H:40]([OH:85])[C@@H:47]([O:100][C@H:51]5[C@H:31]([N:60]=[C:18]([CH3:4])[OH:73])[C@@H:37]([OH:82])[C@H:44]([O:98][C@H:55]6[C@H:42]([OH:87])[C@@H:49]([O:103][C@:57]7([C:56](=[O:88])[OH:89])[CH2:5][C@H:20]([OH:74])[C@@H:29]([N:61]=[C:28]([CH2:13][OH:69])[OH:76])[C@H:46]([C@@H:32]([C@@H:21]([CH2:6][OH:62])[OH:75])[OH:77])[O:102]7)[C@@H:35]([OH:80])[C@@H:24]([CH2:9][OH:65])[O:93]6)[C@@H:26]([CH2:11][OH:67])[O:95]5)[C@@H:33]([OH:78])[C@@H:22]([CH2:7][OH:63])[O:91]4)[C@@H:25]([CH2:10][OH:66])[O:94]3)[C@@H:34]([OH:79])[C@@H:23]([CH2:8][OH:64])[O:92]2)[C@@H:27]([CH2:12][OH:68])[O:96]1)[N:58]=[C:16]([13CH3:2])[OH:71])[OH:70]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1