| Properties | Image |
|---|
| MNX_ID | MNXM23229 |
 |
| reference | glycosphingo:UDVSMOKJYURFBO_MHMGTXGFSA_N |
| formula | C86H154N4O38 |
| global charge | 0 |
| mol weight | 1852.168 |
| InChIKey | UDVSMOKJYURFBO-MHMGTXGFSA-N |
| InChI | InChI=1S/C86H154N4O38/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-58(102)90-49(50(101)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)45-115-83-70(111)69(110)74(57(44-97)122-83)123-84-71(112)78(66(107)54(41-94)119-84)127-81-60(88-47(4)99)76(64(105)52(39-92)117-81)125-86-73(114)79(67(108)56(43-96)121-86)128-82-61(89-48(5)100)75(63(104)53(40-93)118-82)124-85-72(113)77(65(106)55(42-95)120-85)126-80-59(87-46(3)98)68(109)62(103)51(38-91)116-80/h34,36,49-57,59-86,91-97,101,103-114H,6-33,35,37-45H2,1-5H3,(H,87,98)(H,88,99)(H,89,100)(H,90,102)/b36-34+/t49-,50+,51+,52+,53+,54+,55+,56+,57+,59+,60+,61+,62-,63+,64+,65-,66-,67-,68+,69+,70+,71+,72+,73+,74+,75+,76+,77-,78-,79-,80+,81-,82-,83+,84-,85-,86-/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[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](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]5NC(C)=O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C86H154N4O38/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-58(102)90-49(50(101)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)45-115-83-70(111)69(110)74(57(44-97)122-83)123-84-71(112)78(66(107)54(41-94)119-84)127-81-60(88-47(4)99)76(64(105)52(39-92)117-81)125-86-73(114)79(67(108)56(43-96)121-86)128-82-61(89-48(5)100)75(63(104)53(40-93)118-82)124-85-72(113)77(65(106)55(42-95)120-85)126-80-59(87-46(3)98)68(109)62(103)51(38-91)116-80/h34,36,49-57,59-86,91-97,101,103-114H,6-33,35,37-45H2,1-5H3,(H,87,98)(H,88,99)(H,89,100)(H,90,102)/b36-34+/t49-,50+,51+,52+,53+,54+,55+,56+,57+,59+,60+,61+,62-,63+,64+,65-,66-,67-,68+,69+,70+,71+,72+,73+,74+,75+,76+,77-,78-,79-,80+,81-,82-,83+,84-,85-,86-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:58](=[N:90][C@@H:49]([CH2:45][O:115][C@H:83]1[C@H:70]([OH:111])[C@@H:69]([OH:110])[C@H:74]([O:123][C@H:84]2[C@H:71]([OH:112])[C@@H:78]([O:127][C@H:81]3[C@H:60]([N:88]=[C:47]([CH3:4])[OH:99])[C@@H:76]([O:125][C@H:86]4[C@H:73]([OH:114])[C@@H:79]([O:128][C@H:82]5[C@H:61]([N:89]=[C:48]([CH3:5])[OH:100])[C@@H:75]([O:124][C@H:85]6[C@H:72]([OH:113])[C@@H:77]([O:126][C@@H:80]7[C@H:59]([N:87]=[C:46]([CH3:3])[OH:98])[C@@H:68]([OH:109])[C@@H:62]([OH:103])[C@@H:51]([CH2:38][OH:91])[O:116]7)[C@@H:65]([OH:106])[C@@H:55]([CH2:42][OH:95])[O:120]6)[C@H:63]([OH:104])[C@@H:53]([CH2:40][OH:93])[O:118]5)[C@@H:67]([OH:108])[C@@H:56]([CH2:43][OH:96])[O:121]4)[C@H:64]([OH:105])[C@@H:52]([CH2:39][OH:92])[O:117]3)[C@@H:66]([OH:107])[C@@H:54]([CH2:41][OH:94])[O:119]2)[C@@H:57]([CH2:44][OH:97])[O:122]1)[C@@H:50](/[CH:36]=[CH:34]/[CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:101])[OH:102] |
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