| Properties | Image |
|---|
| MNX_ID | MNXM29728 |
 |
| reference | lipidmapsM:LMSP0502AU06 |
| formula | C74H137NO27 |
| global charge | 0 |
| mol weight | 1472.89 |
| InChIKey | YQVIOIJOVOKVCL-KOECRSQCSA-N |
| InChI | InChI=1S/C74H137NO27/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(81)75-48(49(80)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-93-70-63(90)60(87)66(52(44-78)97-70)99-72-64(91)61(88)67(53(45-79)98-72)100-73-65(92)68(57(84)51(43-77)95-73)101-74-69(59(86)56(83)50(42-76)96-74)102-71-62(89)58(85)55(82)47(3)94-71/h38,40,47-53,55-74,76-80,82-92H,4-37,39,41-46H2,1-3H3,(H,75,81)/b40-38+/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-/m1/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]4O[C@H]4O[C@H](C)[C@@H](O)[C@@H](O)[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/C74H137NO27/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(81)75-48(49(80)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-93-70-63(90)60(87)66(52(44-78)97-70)99-72-64(91)61(88)67(53(45-79)98-72)100-73-65(92)68(57(84)51(43-77)95-73)101-74-69(59(86)56(83)50(42-76)96-74)102-71-62(89)58(85)55(82)47(3)94-71/h38,40,47-53,55-74,76-80,82-92H,4-37,39,41-46H2,1-3H3,(H,75,81)/b40-38+/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-/m1/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][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:54](=[N:75][C@@H:48]([CH2:46][O:93][C@H:70]1[C@H:63]([OH:90])[C@@H:60]([OH:87])[C@H:66]([O:99][C@H:72]2[C@H:64]([OH:91])[C@@H:61]([OH:88])[C@@H:67]([O:100][C@@H:73]3[C@H:65]([OH:92])[C@@H:68]([O:101][C@@H:74]4[C@H:69]([O:102][C@@H:71]5[C@@H:62]([OH:89])[C@H:58]([OH:85])[C@H:55]([OH:82])[C@@H:47]([CH3:3])[O:94]5)[C@@H:59]([OH:86])[C@@H:56]([OH:83])[C@@H:50]([CH2:42][OH:76])[O:96]4)[C@@H:57]([OH:84])[C@@H:51]([CH2:43][OH:77])[O:95]3)[C@@H:53]([CH2:45][OH:79])[O:98]2)[C@@H:52]([CH2:44][OH:78])[O:97]1)[C@@H:49](/[CH:40]=[CH:38]/[CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:80])[OH:81] |
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