| Properties | Image |
|---|
| MNX_ID | MNXM26959 |
 |
| reference | glycosphingo:QDHRSMLTEZLXSV_PJAIWQJNSA_N |
| formula | C78H140N2O38 |
| global charge | 0 |
| mol weight | 1713.954 |
| InChIKey | QDHRSMLTEZLXSV-PJAIWQJNSA-N |
| InChI | InChI=1S/C78H140N2O38/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-42(89)41(80-50(90)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)39-105-73-60(99)58(97)66(48(37-86)111-73)113-74-61(100)59(98)67(49(38-87)112-74)114-75-63(102)69(54(93)45(34-83)107-75)116-77-65(104)71(56(95)47(36-85)109-77)118-78-64(103)70(55(94)46(35-84)110-78)117-76-62(101)68(53(92)44(33-82)108-76)115-72-51(79-40(3)88)57(96)52(91)43(32-81)106-72/h28,30,41-49,51-78,81-87,89,91-104H,4-27,29,31-39H2,1-3H3,(H,79,88)(H,80,90)/b30-28+/t41-,42+,43+,44+,45+,46+,47+,48+,49+,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+/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](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]5O)[C@H]4O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C78H140N2O38/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-42(89)41(80-50(90)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)39-105-73-60(99)58(97)66(48(37-86)111-73)113-74-61(100)59(98)67(49(38-87)112-74)114-75-63(102)69(54(93)45(34-83)107-75)116-77-65(104)71(56(95)47(36-85)109-77)118-78-64(103)70(55(94)46(35-84)110-78)117-76-62(101)68(53(92)44(33-82)108-76)115-72-51(79-40(3)88)57(96)52(91)43(32-81)106-72/h28,30,41-49,51-78,81-87,89,91-104H,4-27,29,31-39H2,1-3H3,(H,79,88)(H,80,90)/b30-28+/t41-,42+,43+,44+,45+,46+,47+,48+,49+,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+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26]/[CH:28]=[CH:30]/[C@H:42]([C@H:41]([CH2:39][O:105][C@H:73]1[C@H:60]([OH:99])[C@@H:58]([OH:97])[C@H:66]([O:113][C@H:74]2[C@H:61]([OH:100])[C@@H:59]([OH:98])[C@@H:67]([O:114][C@@H:75]3[C@H:63]([OH:102])[C@@H:69]([O:116][C@@H:77]4[C@H:65]([OH:104])[C@@H:71]([O:118][C@@H:78]5[C@H:64]([OH:103])[C@@H:70]([O:117][C@@H:76]6[C@H:62]([OH:101])[C@@H:68]([O:115][C@H:72]7[C@H:51]([N:79]=[C:40]([CH3:3])[OH:88])[C@@H:57]([OH:96])[C@@H:52]([OH:91])[C@@H:43]([CH2:32][OH:81])[O:106]7)[C@@H:53]([OH:92])[C@@H:44]([CH2:33][OH:82])[O:108]6)[C@@H:55]([OH:94])[C@@H:46]([CH2:35][OH:84])[O:110]5)[C@@H:56]([OH:95])[C@@H:47]([CH2:36][OH:85])[O:109]4)[C@@H:54]([OH:93])[C@@H:45]([CH2:34][OH:83])[O:107]3)[C@@H:49]([CH2:38][OH:87])[O:112]2)[C@@H:48]([CH2:37][OH:86])[O:111]1)[N:80]=[C:50]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:90])[OH:89] |
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