| Properties | Image |
|---|
| MNX_ID | MNXM157624 |
 |
| reference | lipidmapsM:LMSP03030138 |
| formula | C54H105NO26P2 |
| global charge | 0 |
| mol weight | 1246.363 |
| InChIKey | FZRALJNCVYAPSX-XWPAFJMKSA-N |
| InChI | InChI=1S/C54H105NO26P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-34(56)37(58)33(55-53(71)35(57)30-28-26-24-22-19-16-14-12-10-8-6-4-2)31-76-82(72,73)81-52-48(69)44(65)43(64)47(68)51(52)79-54-49(70)39(60)38(59)36(78-54)32-77-83(74,75)80-50-45(66)41(62)40(61)42(63)46(50)67/h33-52,54,56-70H,3-32H2,1-2H3,(H,55,71)(H,72,73)(H,74,75)/t33-,34+,35?,36+,37-,38+,39-,40-,41-,42+,43-,44-,45+,46+,47+,48+,49-,50-,51+,52-,54+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](COP(=O)(O)O[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)NC(=O)C(O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H105NO26P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-34(56)37(58)33(55-53(71)35(57)30-28-26-24-22-19-16-14-12-10-8-6-4-2)31-76-82(72,73)81-52-48(69)44(65)43(64)47(68)51(52)79-54-49(70)39(60)38(59)36(78-54)32-77-83(74,75)80-50-45(66)41(62)40(61)42(63)46(50)67/h33-52,54,56-70H,3-32H2,1-2H3,(H,55,71)(H,72,73)(H,74,75)/t33-,34+,35?,36+,37-,38+,39-,40-,41-,42+,43-,44-,45+,46+,47+,48+,49-,50-,51+,52-,54+/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][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][C@H:34]([C@H:37]([C@H:33]([CH2:31][O:76][P:82]([OH:72])(=[O:73])[O:81][C@H:52]1[C@H:48]([OH:69])[C@@H:44]([OH:65])[C@H:43]([OH:64])[C@@H:47]([OH:68])[C@H:51]1[O:79][C@@H:54]1[C@@H:49]([OH:70])[C@@H:39]([OH:60])[C@H:38]([OH:59])[C@@H:36]([CH2:32][O:77][P:83]([OH:74])(=[O:75])[O:80][C@H:50]2[C@H:45]([OH:66])[C@@H:41]([OH:62])[C@H:40]([OH:61])[C@@H:42]([OH:63])[C@H:46]2[OH:67])[O:78]1)[N:55]=[C:53]([CH:35]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:57])[OH:71])[OH:58])[OH:56] |
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