a ganglioside GD1c (d18:1(4E))

Properties Image MNX_ID MNXM1108333 reference chebi:87787 formula C67H111N4O39* global charge -2 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@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C68H116N4O39/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(83)33(69-29(2)79)28-100-62-52(93)50(91)56(41(26-77)103-62)106-63-53(94)51(92)55(42(27-78)104-63)105-61-45(72-32(5)82)57(47(88)38(23-74)101-61)107-64-54(95)60(48(89)39(24-75)102-64)111-68(66(98)99)21-36(85)44(71-31(4)81)59(110-68)49(90)40(25-76)108-67(65(96)97)20-35(84)43(70-30(3)80)58(109-67)46(87)37(86)22-73/h18-19,33-64,73-78,83-95H,6-17,20-28H2,1-5H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)(H,96,97)(H,98,99)/b19-18+/t33-,34+,35-,36-,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49+,50+,51+,52+,53+,54+,55-,56+,57+,58+,59+,60-,61-,62+,63-,64-,67+,68-/m0/s1/i2+1 SMILES (mnx) [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]/[CH:18]=[CH:19]/[C@H:34]([C@H:33]([CH2:28][O:100][C@H:62]1[C@H:52]([OH:93])[C@@H:50]([OH:91])[C@H:56]([O:106][C@H:63]2[C@H:53]([OH:94])[C@@H:51]([OH:92])[C@@H:55]([O:105][C@H:61]3[C@H:45]([N:72]=[C:32]([CH3:5])[OH:82])[C@@H:57]([O:107][C@H:64]4[C@H:54]([OH:95])[C@@H:60]([O:111][C@:68]5([C:66](=[O:98])[OH:99])[CH2:21][C@H:36]([OH:85])[C@@H:44]([N:71]=[C:31]([CH3:4])[OH:81])[C@H:59]([C@@H:49]([C@@H:40]([CH2:25][OH:76])[O:108][C@:67]6([C:65](=[O:96])[OH:97])[CH2:20][C@H:35]([OH:84])[C@@H:43]([N:70]=[C:30]([CH3:3])[OH:80])[C@H:58]([C@@H:46]([C@@H:37]([CH2:22][OH:73])[OH:86])[OH:87])[O:109]6)[OH:90])[O:110]5)[C@@H:48]([OH:89])[C@@H:39]([CH2:24][OH:75])[O:102]4)[C@@H:47]([OH:88])[C@@H:38]([CH2:23][OH:74])[O:101]3)[C@@H:42]([CH2:27][OH:78])[O:104]2)[C@@H:41]([CH2:26][OH:77])[O:103]1)[N:69]=[C:29]([13CH3:2])[OH:79])[OH:83]

Parent-child relations graph

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