| Properties | Image |
|---|
| MNX_ID | MNXM27634 |
 |
| reference | glycosphingo:JJDJPSWOTVMPGR_FETGZLMMSA_N |
| formula | C94H166N4O48 |
| global charge | 0 |
| mol weight | 2120.342 |
| InChIKey | JJDJPSWOTVMPGR-FETGZLMMSA-N |
| InChI | InChI=1S/C94H166N4O48/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-48(111)47(98-58(112)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)43-129-89-73(124)71(122)81(57(42-107)138-89)142-94-76(127)84(65(116)52(37-102)134-94)145-88-60(96-45(4)109)68(119)79(55(40-105)136-88)140-92-74(125)82(63(114)50(35-100)132-92)143-86-59(95-44(3)108)67(118)78(54(39-104)135-86)139-91-75(126)83(64(115)51(36-101)131-91)144-87-61(97-46(5)110)69(120)80(56(41-106)137-87)141-93-77(128)85(66(117)53(38-103)133-93)146-90-72(123)70(121)62(113)49(34-99)130-90/h30,32,47-57,59-94,99-107,111,113-128H,6-29,31,33-43H2,1-5H3,(H,95,108)(H,96,109)(H,97,110)(H,98,112)/b32-30+/t47-,48+,49+,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-,87-,88-,89+,90+,91-,92-,93-,94-/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]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O)[C@H](O)[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)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C94H166N4O48/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-48(111)47(98-58(112)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)43-129-89-73(124)71(122)81(57(42-107)138-89)142-94-76(127)84(65(116)52(37-102)134-94)145-88-60(96-45(4)109)68(119)79(55(40-105)136-88)140-92-74(125)82(63(114)50(35-100)132-92)143-86-59(95-44(3)108)67(118)78(54(39-104)135-86)139-91-75(126)83(64(115)51(36-101)131-91)144-87-61(97-46(5)110)69(120)80(56(41-106)137-87)141-93-77(128)85(66(117)53(38-103)133-93)146-90-72(123)70(121)62(113)49(34-99)130-90/h30,32,47-57,59-94,99-107,111,113-128H,6-29,31,33-43H2,1-5H3,(H,95,108)(H,96,109)(H,97,110)(H,98,112)/b32-30+/t47-,48+,49+,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-,87-,88-,89+,90+,91-,92-,93-,94-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28]/[CH:30]=[CH:32]/[C@H:48]([C@H:47]([CH2:43][O:129][C@H:89]1[C@H:73]([OH:124])[C@@H:71]([OH:122])[C@H:81]([O:142][C@H:94]2[C@H:76]([OH:127])[C@@H:84]([O:145][C@H:88]3[C@H:60]([N:96]=[C:45]([CH3:4])[OH:109])[C@@H:68]([OH:119])[C@H:79]([O:140][C@H:92]4[C@H:74]([OH:125])[C@@H:82]([O:143][C@H:86]5[C@H:59]([N:95]=[C:44]([CH3:3])[OH:108])[C@@H:67]([OH:118])[C@H:78]([O:139][C@H:91]6[C@H:75]([OH:126])[C@@H:83]([O:144][C@H:87]7[C@H:61]([N:97]=[C:46]([CH3:5])[OH:110])[C@@H:69]([OH:120])[C@H:80]([O:141][C@H:93]8[C@H:77]([OH:128])[C@@H:85]([O:146][C@@H:90]9[C@H:72]([OH:123])[C@@H:70]([OH:121])[C@@H:62]([OH:113])[C@@H:49]([CH2:34][OH:99])[O:130]9)[C@@H:66]([OH:117])[C@@H:53]([CH2:38][OH:103])[O:133]8)[C@@H:56]([CH2:41][OH:106])[O:137]7)[C@@H:64]([OH:115])[C@@H:51]([CH2:36][OH:101])[O:131]6)[C@@H:54]([CH2:39][OH:104])[O:135]5)[C@@H:63]([OH:114])[C@@H:50]([CH2:35][OH:100])[O:132]4)[C@@H:55]([CH2:40][OH:105])[O:136]3)[C@@H:65]([OH:116])[C@@H:52]([CH2:37][OH:102])[O:134]2)[C@@H:57]([CH2:42][OH:107])[O:138]1)[N:98]=[C:58]([CH2:33][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][CH3:2])[OH:112])[OH:111] |
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