| Properties | Image |
|---|
| MNX_ID | MNXM1102757 |
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| reference | glycosphingo:UDOAIBRKHJJRSK_FYBUMFIMSA_N |
| formula | C82H147N3O38 |
| global charge | 0 |
| mol weight | 1783.061 |
| InChIKey | UDOAIBRKHJJRSK-FYBUMFIMSA-N |
| InChI | InChI=1S/C82H147N3O38/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-54(95)85-45(46(94)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-110-78-68(107)64(103)72(51(39-90)116-78)120-81-69(108)65(104)73(52(40-91)117-81)121-82-70(109)75(59(98)49(37-88)114-82)123-77-56(84-44(4)93)74(122-80-67(106)63(102)58(97)48(36-87)113-80)60(99)53(118-77)42-111-76-55(83-43(3)92)61(100)71(50(38-89)115-76)119-79-66(105)62(101)57(96)47(35-86)112-79/h31,33,45-53,55-82,86-91,94,96-109H,5-30,32,34-42H2,1-4H3,(H,83,92)(H,84,93)(H,85,95)/b33-31+/t45-,46+,47+,48+,49+,50+,51+,52+,53+,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-,81-,82+/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]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C82H147N3O38/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-54(95)85-45(46(94)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-110-78-68(107)64(103)72(51(39-90)116-78)120-81-69(108)65(104)73(52(40-91)117-81)121-82-70(109)75(59(98)49(37-88)114-82)123-77-56(84-44(4)93)74(122-80-67(106)63(102)58(97)48(36-87)113-80)60(99)53(118-77)42-111-76-55(83-43(3)92)61(100)71(50(38-89)115-76)119-79-66(105)62(101)57(96)47(35-86)112-79/h31,33,45-53,55-82,86-91,94,96-109H,5-30,32,34-42H2,1-4H3,(H,83,92)(H,84,93)(H,85,95)/b33-31+/t45-,46+,47+,48+,49+,50+,51+,52+,53+,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-,81-,82+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:54](=[N:85][C@@H:45]([CH2:41][O:110][C@H:78]1[C@H:68]([OH:107])[C@@H:64]([OH:103])[C@H:72]([O:120][C@H:81]2[C@H:69]([OH:108])[C@@H:65]([OH:104])[C@@H:73]([O:121][C@@H:82]3[C@H:70]([OH:109])[C@@H:75]([O:123][C@H:77]4[C@H:56]([N:84]=[C:44]([CH3:4])[OH:93])[C@@H:74]([O:122][C@H:80]5[C@H:67]([OH:106])[C@@H:63]([OH:102])[C@@H:58]([OH:97])[C@@H:48]([CH2:36][OH:87])[O:113]5)[C@@H:60]([OH:99])[C@@H:53]([CH2:42][O:111][C@H:76]5[C@H:55]([N:83]=[C:43]([CH3:3])[OH:92])[C@@H:61]([OH:100])[C@H:71]([O:119][C@H:79]6[C@H:66]([OH:105])[C@@H:62]([OH:101])[C@@H:57]([OH:96])[C@@H:47]([CH2:35][OH:86])[O:112]6)[C@@H:50]([CH2:38][OH:89])[O:115]5)[O:118]4)[C@@H:59]([OH:98])[C@@H:49]([CH2:37][OH:88])[O:114]3)[C@@H:52]([CH2:40][OH:91])[O:117]2)[C@@H:51]([CH2:39][OH:90])[O:116]1)[C@@H:46](/[CH:33]=[CH:31]/[CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:94])[OH:95] |
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