| Properties | Image |
|---|
| MNX_ID | MNXM23108 |
 |
| reference | glycosphingo:DBSMVIUVLLJRBQ_QVAGRPHOSA_N |
| formula | C84H153N3O33 |
| global charge | 0 |
| mol weight | 1733.136 |
| InChIKey | DBSMVIUVLLJRBQ-QVAGRPHOSA-N |
| InChI | InChI=1S/C84H153N3O33/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(97)87-52(53(96)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-109-81-71(106)69(104)75(59(48-93)115-81)117-84-72(107)77(65(100)56(45-90)113-84)119-79-61(85-50(3)94)67(102)74(58(47-92)114-79)116-83-73(108)78(66(101)57(46-91)112-83)120-80-62(86-51(4)95)76(64(99)55(44-89)110-80)118-82-70(105)68(103)63(98)54(43-88)111-82/h39,41,52-59,61-84,88-93,96,98-108H,5-38,40,42-49H2,1-4H3,(H,85,94)(H,86,95)(H,87,97)/b41-39+/t52-,53+,54+,55+,56+,57+,58+,59+,61+,62+,63-,64+,65-,66-,67+,68-,69+,70+,71+,72+,73+,74+,75+,76+,77-,78-,79-,80-,81+,82-,83-,84-/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]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]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C84H153N3O33/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(97)87-52(53(96)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-109-81-71(106)69(104)75(59(48-93)115-81)117-84-72(107)77(65(100)56(45-90)113-84)119-79-61(85-50(3)94)67(102)74(58(47-92)114-79)116-83-73(108)78(66(101)57(46-91)112-83)120-80-62(86-51(4)95)76(64(99)55(44-89)110-80)118-82-70(105)68(103)63(98)54(43-88)111-82/h39,41,52-59,61-84,88-93,96,98-108H,5-38,40,42-49H2,1-4H3,(H,85,94)(H,86,95)(H,87,97)/b41-39+/t52-,53+,54+,55+,56+,57+,58+,59+,61+,62+,63-,64+,65-,66-,67+,68-,69+,70+,71+,72+,73+,74+,75+,76+,77-,78-,79-,80-,81+,82-,83-,84-/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][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:60](=[N:87][C@@H:52]([CH2:49][O:109][C@H:81]1[C@H:71]([OH:106])[C@@H:69]([OH:104])[C@H:75]([O:117][C@H:84]2[C@H:72]([OH:107])[C@@H:77]([O:119][C@H:79]3[C@H:61]([N:85]=[C:50]([CH3:3])[OH:94])[C@@H:67]([OH:102])[C@H:74]([O:116][C@H:83]4[C@H:73]([OH:108])[C@@H:78]([O:120][C@H:80]5[C@H:62]([N:86]=[C:51]([CH3:4])[OH:95])[C@@H:76]([O:118][C@H:82]6[C@H:70]([OH:105])[C@@H:68]([OH:103])[C@@H:63]([OH:98])[C@@H:54]([CH2:43][OH:88])[O:111]6)[C@H:64]([OH:99])[C@@H:55]([CH2:44][OH:89])[O:110]5)[C@@H:66]([OH:101])[C@@H:57]([CH2:46][OH:91])[O:112]4)[C@@H:58]([CH2:47][OH:92])[O:114]3)[C@@H:65]([OH:100])[C@@H:56]([CH2:45][OH:90])[O:113]2)[C@@H:59]([CH2:48][OH:93])[O:115]1)[C@@H:53](/[CH:41]=[CH:39]/[CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:96])[OH:97] |
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