Type IIIH glycolipid

Properties Image MNX_ID MNXM1103930 reference biggM:fucgalacgalfuc12gal14acglcgalgluside_hs formula C71H122N3O41* 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](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[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]4O[C@@H](C)[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@H](O)/C=C/CCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C72H125N3O41/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-34(85)33(73-30(4)82)27-101-67-56(99)53(96)59(40(26-81)109-67)110-70-57(100)61(47(90)37(23-78)105-70)113-65-41(74-31(5)83)49(92)58(39(25-80)108-65)111-72-64(116-69-55(98)51(94)44(87)29(3)103-69)62(48(91)38(24-79)107-72)114-66-42(75-32(6)84)60(46(89)36(22-77)104-66)112-71-63(52(95)45(88)35(21-76)106-71)115-68-54(97)50(93)43(86)28(2)102-68/h19-20,28-29,33-72,76-81,85-100H,7-18,21-27H2,1-6H3,(H,73,82)(H,74,83)(H,75,84)/b20-19+/t28-,29-,33-,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+,65-,66+,67+,68-,69-,70-,71-,72-/m0/s1/i4+1 SMILES (mnx) [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]/[CH:19]=[CH:20]/[C@H:34]([C@H:33]([CH2:27][O:101][C@H:67]1[C@H:56]([OH:99])[C@@H:53]([OH:96])[C@H:59]([O:110][C@H:70]2[C@H:57]([OH:100])[C@@H:61]([O:113][C@H:65]3[C@H:41]([N:74]=[C:31]([CH3:5])[OH:83])[C@@H:49]([OH:92])[C@H:58]([O:111][C@H:72]4[C@H:64]([O:116][C@H:69]5[C@@H:55]([OH:98])[C@H:51]([OH:94])[C@H:44]([OH:87])[C@H:29]([CH3:3])[O:103]5)[C@@H:62]([O:114][C@@H:66]5[C@H:42]([N:75]=[C:32]([CH3:6])[OH:84])[C@@H:60]([O:112][C@H:71]6[C@H:63]([O:115][C@H:68]7[C@@H:54]([OH:97])[C@H:50]([OH:93])[C@H:43]([OH:86])[C@H:28]([CH3:2])[O:102]7)[C@@H:52]([OH:95])[C@@H:45]([OH:88])[C@@H:35]([CH2:21][OH:76])[O:106]6)[C@@H:46]([OH:89])[C@@H:36]([CH2:22][OH:77])[O:104]5)[C@@H:48]([OH:91])[C@@H:38]([CH2:24][OH:79])[O:107]4)[C@@H:39]([CH2:25][OH:80])[O:108]3)[C@@H:47]([OH:90])[C@@H:37]([CH2:23][OH:78])[O:105]2)[C@@H:40]([CH2:26][OH:81])[O:109]1)[N:73]=[C:30]([13CH3:4])[OH:82])[OH:85]

Parent-child relations graph

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