| Properties | Image |
|---|
| MNX_ID | MNXM25508 |
 |
| reference | glycosphingo:FMTRWLHZRRYQLM_MXKVGWBYSA_M |
| formula | C79H139N4O36 |
| global charge | -1 |
| mol weight | 1720.973 |
| InChIKey | FMTRWLHZRRYQLM-MXKVGWBYSA-M |
| InChI | InChI=1S/C79H140N4O36/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-46(93)45(83-54(96)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)41-108-75-64(103)63(102)67(52(39-88)112-75)114-76-65(104)71(61(100)51(38-87)111-76)117-74-57(82-44(5)92)69(60(99)50(37-86)110-74)116-77-66(105)72(68(53(40-89)113-77)115-73-56(81-43(4)91)62(101)59(98)49(36-85)109-73)119-79(78(106)107)34-47(94)55(80-42(3)90)70(118-79)58(97)48(95)35-84/h30,32,45-53,55-77,84-89,93-95,97-105H,6-29,31,33-41H2,1-5H3,(H,80,90)(H,81,91)(H,82,92)(H,83,96)(H,106,107)/p-1/b32-30+/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-,79-/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](O[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C79H140N4O36/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-46(93)45(83-54(96)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)41-108-75-64(103)63(102)67(52(39-88)112-75)114-76-65(104)71(61(100)51(38-87)111-76)117-74-57(82-44(5)92)69(60(99)50(37-86)110-74)116-77-66(105)72(68(53(40-89)113-77)115-73-56(81-43(4)91)62(101)59(98)49(36-85)109-73)119-79(78(106)107)34-47(94)55(80-42(3)90)70(118-79)58(97)48(95)35-84/h30,32,45-53,55-77,84-89,93-95,97-105H,6-29,31,33-41H2,1-5H3,(H,80,90)(H,81,91)(H,82,92)(H,83,96)(H,106,107)/b32-30+/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-,79-/m0/s1 |
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| 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:46]([C@H:45]([CH2:41][O:108][C@H:75]1[C@H:64]([OH:103])[C@@H:63]([OH:102])[C@H:67]([O:114][C@H:76]2[C@H:65]([OH:104])[C@@H:71]([O:117][C@H:74]3[C@H:57]([N:82]=[C:44]([CH3:5])[OH:92])[C@@H:69]([O:116][C@H:77]4[C@H:66]([OH:105])[C@@H:72]([O:119][C@:79]5([C:78](=[O:106])[OH:107])[CH2:34][C@H:47]([OH:94])[C@@H:55]([N:80]=[C:42]([CH3:3])[OH:90])[C@H:70]([C@@H:58]([C@@H:48]([CH2:35][OH:84])[OH:95])[OH:97])[O:118]5)[C@@H:68]([O:115][C@H:73]5[C@H:56]([N:81]=[C:43]([CH3:4])[OH:91])[C@@H:62]([OH:101])[C@@H:59]([OH:98])[C@@H:49]([CH2:36][OH:85])[O:109]5)[C@@H:53]([CH2:40][OH:89])[O:113]4)[C@H:60]([OH:99])[C@@H:50]([CH2:37][OH:86])[O:110]3)[C@@H:61]([OH:100])[C@@H:51]([CH2:38][OH:87])[O:111]2)[C@@H:52]([CH2:39][OH:88])[O:112]1)[N:83]=[C:54]([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:96])[OH:93] |
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