| Properties | Image |
|---|
| MNX_ID | MNXM25439 |
 |
| reference | lipidmapsM:LMSP0502AU02 |
| formula | C66H121NO27 |
| global charge | 0 |
| mol weight | 1360.674 |
| InChIKey | XXDSAQUQSXFMQA-QGQZYLILSA-N |
| InChI | InChI=1S/C66H121NO27/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(73)67-40(41(72)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-85-62-55(82)52(79)58(44(36-70)89-62)91-64-56(83)53(80)59(45(37-71)90-64)92-65-57(84)60(49(76)43(35-69)87-65)93-66-61(51(78)48(75)42(34-68)88-66)94-63-54(81)50(77)47(74)39(3)86-63/h30,32,39-45,47-66,68-72,74-84H,4-29,31,33-38H2,1-3H3,(H,67,73)/b32-30+/t39-,40+,41-,42-,43-,44-,45-,47-,48+,49+,50-,51+,52-,53-,54+,55-,56-,57-,58-,59+,60+,61-,62-,63-,64+,65-,66-/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)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C66H121NO27/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(73)67-40(41(72)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-85-62-55(82)52(79)58(44(36-70)89-62)91-64-56(83)53(80)59(45(37-71)90-64)92-65-57(84)60(49(76)43(35-69)87-65)93-66-61(51(78)48(75)42(34-68)88-66)94-63-54(81)50(77)47(74)39(3)86-63/h30,32,39-45,47-66,68-72,74-84H,4-29,31,33-38H2,1-3H3,(H,67,73)/b32-30+/t39-,40+,41-,42-,43-,44-,45-,47-,48+,49+,50-,51+,52-,53-,54+,55-,56-,57-,58-,59+,60+,61-,62-,63-,64+,65-,66-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:46](=[N:67][C@@H:40]([CH2:38][O:85][C@H:62]1[C@H:55]([OH:82])[C@@H:52]([OH:79])[C@H:58]([O:91][C@H:64]2[C@H:56]([OH:83])[C@@H:53]([OH:80])[C@@H:59]([O:92][C@@H:65]3[C@H:57]([OH:84])[C@@H:60]([O:93][C@@H:66]4[C@H:61]([O:94][C@@H:63]5[C@@H:54]([OH:81])[C@H:50]([OH:77])[C@H:47]([OH:74])[C@@H:39]([CH3:3])[O:86]5)[C@@H:51]([OH:78])[C@@H:48]([OH:75])[C@@H:42]([CH2:34][OH:68])[O:88]4)[C@@H:49]([OH:76])[C@@H:43]([CH2:35][OH:69])[O:87]3)[C@@H:45]([CH2:37][OH:71])[O:90]2)[C@@H:44]([CH2:36][OH:70])[O:89]1)[C@@H:41](/[CH:32]=[CH:30]/[CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:72])[OH:73] |
|