Type IIIA glycolipid

Properties Image MNX_ID MNXM1104475 reference biggM:acgalfucgalacgalfuc12gal14acglcgalgluside_hs formula C79H135N4O46* 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]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7NC(C)=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/C80H138N4O46/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-37(96)36(81-32(4)92)29-113-75-62(111)59(108)65(44(28-91)122-75)123-78-63(112)67(52(101)40(24-87)118-78)126-73-46(83-34(6)94)56(105)64(43(27-90)121-73)124-79-70(129-76-60(109)57(106)48(97)30(2)114-76)69(54(103)41(25-88)119-79)128-74-47(84-35(7)95)66(51(100)39(23-86)117-74)125-80-71(130-77-61(110)58(107)49(98)31(3)115-77)68(53(102)42(26-89)120-80)127-72-45(82-33(5)93)55(104)50(99)38(22-85)116-72/h20-21,30-31,36-80,85-91,96-112H,8-19,22-29H2,1-7H3,(H,81,92)(H,82,93)(H,83,94)(H,84,95)/b21-20+/t30-,31-,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+,73-,74+,75+,76-,77-,78-,79-,80-/m0/s1/i4+1 SMILES (mnx) [CH3:1][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]/[CH:20]=[CH:21]/[C@H:37]([C@H:36]([CH2:29][O:113][C@H:75]1[C@H:62]([OH:111])[C@@H:59]([OH:108])[C@H:65]([O:123][C@H:78]2[C@H:63]([OH:112])[C@@H:67]([O:126][C@H:73]3[C@H:46]([N:83]=[C:34]([CH3:6])[OH:94])[C@@H:56]([OH:105])[C@H:64]([O:124][C@H:79]4[C@H:70]([O:129][C@H:76]5[C@@H:60]([OH:109])[C@H:57]([OH:106])[C@H:48]([OH:97])[C@H:30]([CH3:2])[O:114]5)[C@@H:69]([O:128][C@@H:74]5[C@H:47]([N:84]=[C:35]([CH3:7])[OH:95])[C@@H:66]([O:125][C@H:80]6[C@H:71]([O:130][C@H:77]7[C@@H:61]([OH:110])[C@H:58]([OH:107])[C@H:49]([OH:98])[C@H:31]([CH3:3])[O:115]7)[C@@H:68]([O:127][C@@H:72]7[C@H:45]([N:82]=[C:33]([CH3:5])[OH:93])[C@@H:55]([OH:104])[C@@H:50]([OH:99])[C@@H:38]([CH2:22][OH:85])[O:116]7)[C@@H:53]([OH:102])[C@@H:42]([CH2:26][OH:89])[O:120]6)[C@@H:51]([OH:100])[C@@H:39]([CH2:23][OH:86])[O:117]5)[C@@H:54]([OH:103])[C@@H:41]([CH2:25][OH:88])[O:119]4)[C@@H:43]([CH2:27][OH:90])[O:121]3)[C@@H:52]([OH:101])[C@@H:40]([CH2:24][OH:87])[O:118]2)[C@@H:44]([CH2:28][OH:91])[O:122]1)[N:81]=[C:32]([13CH3:4])[OH:92])[OH:96]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 4