| Properties | Image |
|---|
| MNX_ID | MNXM1103024 |
 |
| reference | glycosphingo:UWODBDZVXWARHF_PMNRVLFXSA_N |
| formula | C74H137NO28 |
| global charge | 0 |
| mol weight | 1488.889 |
| InChIKey | UWODBDZVXWARHF-PMNRVLFXSA-N |
| InChI | InChI=1S/C74H137NO28/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-54(82)75-47(48(81)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)46-94-70-62(90)59(87)66(52(44-79)98-70)100-72-63(91)60(88)67(53(45-80)99-72)101-73-64(92)69(57(85)50(42-77)96-73)103-74-65(93)68(56(84)51(43-78)97-74)102-71-61(89)58(86)55(83)49(41-76)95-71/h37,39,47-53,55-74,76-81,83-93H,3-36,38,40-46H2,1-2H3,(H,75,82)/b39-37+/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](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]4O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C74H137NO28/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-54(82)75-47(48(81)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)46-94-70-62(90)59(87)66(52(44-79)98-70)100-72-63(91)60(88)67(53(45-80)99-72)101-73-64(92)69(57(85)50(42-77)96-73)103-74-65(93)68(56(84)51(43-78)97-74)102-71-61(89)58(86)55(83)49(41-76)95-71/h37,39,47-53,55-74,76-81,83-93H,3-36,38,40-46H2,1-2H3,(H,75,82)/b39-37+/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 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:54](=[N:75][C@@H:47]([CH2:46][O:94][C@H:70]1[C@H:62]([OH:90])[C@@H:59]([OH:87])[C@H:66]([O:100][C@H:72]2[C@H:63]([OH:91])[C@@H:60]([OH:88])[C@@H:67]([O:101][C@@H:73]3[C@H:64]([OH:92])[C@@H:69]([O:103][C@@H:74]4[C@H:65]([OH:93])[C@@H:68]([O:102][C@@H:71]5[C@H:61]([OH:89])[C@@H:58]([OH:86])[C@@H:55]([OH:83])[C@@H:49]([CH2:41][OH:76])[O:95]5)[C@@H:56]([OH:84])[C@@H:51]([CH2:43][OH:78])[O:97]4)[C@@H:57]([OH:85])[C@@H:50]([CH2:42][OH:77])[O:96]3)[C@@H:53]([CH2:45][OH:80])[O:99]2)[C@@H:52]([CH2:44][OH:79])[O:98]1)[C@@H:48](/[CH:39]=[CH:37]/[CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:81])[OH:82] |
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