| Properties | Image |
|---|
| MNX_ID | MNXM29414 |
 |
| reference | glycosphingo:FNQQRAQYAXYMJZ_QZLNJGKNSA_N |
| formula | C84H150N2O43 |
| global charge | 0 |
| mol weight | 1876.095 |
| InChIKey | FNQQRAQYAXYMJZ-QZLNJGKNSA-N |
| InChI | InChI=1S/C84H150N2O43/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-43(96)42(86-52(97)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)40-114-78-63(107)61(105)70(50(38-93)121-78)123-79-64(108)62(106)71(51(39-94)122-79)124-80-66(110)73(56(100)46(34-89)116-80)126-82-68(112)75(58(102)48(36-91)118-82)128-84-69(113)76(59(103)49(37-92)120-84)129-83-67(111)74(57(101)47(35-90)119-83)127-81-65(109)72(55(99)45(33-88)117-81)125-77-53(85-41(3)95)60(104)54(98)44(32-87)115-77/h28,30,42-51,53-84,87-94,96,98-113H,4-27,29,31-40H2,1-3H3,(H,85,95)(H,86,97)/b30-28+/t42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,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+,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]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]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8NC(C)=O)[C@H]7O)[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/C84H150N2O43/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-43(96)42(86-52(97)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)40-114-78-63(107)61(105)70(50(38-93)121-78)123-79-64(108)62(106)71(51(39-94)122-79)124-80-66(110)73(56(100)46(34-89)116-80)126-82-68(112)75(58(102)48(36-91)118-82)128-84-69(113)76(59(103)49(37-92)120-84)129-83-67(111)74(57(101)47(35-90)119-83)127-81-65(109)72(55(99)45(33-88)117-81)125-77-53(85-41(3)95)60(104)54(98)44(32-87)115-77/h28,30,42-51,53-84,87-94,96,98-113H,4-27,29,31-40H2,1-3H3,(H,85,95)(H,86,97)/b30-28+/t42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,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+,81+,82+,83+,84+/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:43]([C@H:42]([CH2:40][O:114][C@H:78]1[C@H:63]([OH:107])[C@@H:61]([OH:105])[C@H:70]([O:123][C@H:79]2[C@H:64]([OH:108])[C@@H:62]([OH:106])[C@@H:71]([O:124][C@@H:80]3[C@H:66]([OH:110])[C@@H:73]([O:126][C@@H:82]4[C@H:68]([OH:112])[C@@H:75]([O:128][C@@H:84]5[C@H:69]([OH:113])[C@@H:76]([O:129][C@@H:83]6[C@H:67]([OH:111])[C@@H:74]([O:127][C@@H:81]7[C@H:65]([OH:109])[C@@H:72]([O:125][C@H:77]8[C@H:53]([N:85]=[C:41]([CH3:3])[OH:95])[C@@H:60]([OH:104])[C@@H:54]([OH:98])[C@@H:44]([CH2:32][OH:87])[O:115]8)[C@@H:55]([OH:99])[C@@H:45]([CH2:33][OH:88])[O:117]7)[C@@H:57]([OH:101])[C@@H:47]([CH2:35][OH:90])[O:119]6)[C@@H:59]([OH:103])[C@@H:49]([CH2:37][OH:92])[O:120]5)[C@@H:58]([OH:102])[C@@H:48]([CH2:36][OH:91])[O:118]4)[C@@H:56]([OH:100])[C@@H:46]([CH2:34][OH:89])[O:116]3)[C@@H:51]([CH2:39][OH:94])[O:122]2)[C@@H:50]([CH2:38][OH:93])[O:121]1)[N:86]=[C:52]([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:97])[OH:96] |
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