| Properties | Image |
|---|
| MNX_ID | MNXM26848 |
 |
| reference | lipidmapsM:LMSP0502AU05 |
| formula | C72H133NO27 |
| global charge | 0 |
| mol weight | 1444.836 |
| InChIKey | USPNOESDKUOZAT-KANSWVEISA-N |
| InChI | InChI=1S/C72H133NO27/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(79)73-46(47(78)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-91-68-61(88)58(85)64(50(42-76)95-68)97-70-62(89)59(86)65(51(43-77)96-70)98-71-63(90)66(55(82)49(41-75)93-71)99-72-67(57(84)54(81)48(40-74)94-72)100-69-60(87)56(83)53(80)45(3)92-69/h36,38,45-51,53-72,74-78,80-90H,4-35,37,39-44H2,1-3H3,(H,73,79)/b38-36+/t45-,46+,47-,48-,49-,50-,51-,53-,54+,55+,56-,57+,58-,59-,60+,61-,62-,63-,64-,65+,66+,67-,68-,69-,70+,71-,72-/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)CCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C72H133NO27/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(79)73-46(47(78)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-91-68-61(88)58(85)64(50(42-76)95-68)97-70-62(89)59(86)65(51(43-77)96-70)98-71-63(90)66(55(82)49(41-75)93-71)99-72-67(57(84)54(81)48(40-74)94-72)100-69-60(87)56(83)53(80)45(3)92-69/h36,38,45-51,53-72,74-78,80-90H,4-35,37,39-44H2,1-3H3,(H,73,79)/b38-36+/t45-,46+,47-,48-,49-,50-,51-,53-,54+,55+,56-,57+,58-,59-,60+,61-,62-,63-,64-,65+,66+,67-,68-,69-,70+,71-,72-/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][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:52](=[N:73][C@@H:46]([CH2:44][O:91][C@H:68]1[C@H:61]([OH:88])[C@@H:58]([OH:85])[C@H:64]([O:97][C@H:70]2[C@H:62]([OH:89])[C@@H:59]([OH:86])[C@@H:65]([O:98][C@@H:71]3[C@H:63]([OH:90])[C@@H:66]([O:99][C@@H:72]4[C@H:67]([O:100][C@@H:69]5[C@@H:60]([OH:87])[C@H:56]([OH:83])[C@H:53]([OH:80])[C@@H:45]([CH3:3])[O:92]5)[C@@H:57]([OH:84])[C@@H:54]([OH:81])[C@@H:48]([CH2:40][OH:74])[O:94]4)[C@@H:55]([OH:82])[C@@H:49]([CH2:41][OH:75])[O:93]3)[C@@H:51]([CH2:43][OH:77])[O:96]2)[C@@H:50]([CH2:42][OH:76])[O:95]1)[C@@H:47](/[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:78])[OH:79] |
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