| Properties | Image |
|---|
| MNX_ID | MNXM22822 |
 |
| reference | glycosphingo:DPUNJWXSJIZFRD_IVAYWBOUSA_N |
| formula | C74H136N2O28 |
| global charge | 0 |
| mol weight | 1501.888 |
| InChIKey | DPUNJWXSJIZFRD-IVAYWBOUSA-N |
| InChI | InChI=1S/C74H136N2O28/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-54(84)76-47(48(83)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)45-95-71-63(92)59(88)67(51(42-79)98-71)102-74-65(94)61(90)68(53(44-81)100-74)103-73-64(93)60(89)66(52(43-80)99-73)101-70-55(75-46(3)82)69(57(86)50(41-78)96-70)104-72-62(91)58(87)56(85)49(40-77)97-72/h36,38,47-53,55-74,77-81,83,85-94H,4-35,37,39-45H2,1-3H3,(H,75,82)(H,76,84)/b38-36+/t47-,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-/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]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C74H136N2O28/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-54(84)76-47(48(83)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)45-95-71-63(92)59(88)67(51(42-79)98-71)102-74-65(94)61(90)68(53(44-81)100-74)103-73-64(93)60(89)66(52(43-80)99-73)101-70-55(75-46(3)82)69(57(86)50(41-78)96-70)104-72-62(91)58(87)56(85)49(40-77)97-72/h36,38,47-53,55-74,77-81,83,85-94H,4-35,37,39-45H2,1-3H3,(H,75,82)(H,76,84)/b38-36+/t47-,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-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:54](=[N:76][C@@H:47]([CH2:45][O:95][C@H:71]1[C@H:63]([OH:92])[C@@H:59]([OH:88])[C@H:67]([O:102][C@H:74]2[C@H:65]([OH:94])[C@@H:61]([OH:90])[C@@H:68]([O:103][C@@H:73]3[C@H:64]([OH:93])[C@@H:60]([OH:89])[C@@H:66]([O:101][C@H:70]4[C@H:55]([N:75]=[C:46]([CH3:3])[OH:82])[C@@H:69]([O:104][C@H:72]5[C@H:62]([OH:91])[C@@H:58]([OH:87])[C@@H:56]([OH:85])[C@@H:49]([CH2:40][OH:77])[O:97]5)[C@@H:57]([OH:86])[C@@H:50]([CH2:41][OH:78])[O:96]4)[C@@H:52]([CH2:43][OH:80])[O:99]3)[C@@H:53]([CH2:44][OH:81])[O:100]2)[C@@H:51]([CH2:42][OH:79])[O:98]1)[C@@H:48](/[CH:38]=[CH:36]/[CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:83])[OH:84] |
|