| Properties | Image |
|---|
| MNX_ID | MNXM25854 |
 |
| reference | lipidmapsM:LMGP01080004 |
| formula | C48H82NO7P |
| global charge | 0 |
| mol weight | 816.158 |
| InChIKey | JMNFRLGGMQMERG-SXBZFKTMSA-N |
| InChI | InChI=1S/C48H82NO7P/c1-49(2,3)26-28-55-57(51,52)56-32-35(53-27-14-10-5-4-7-11-15-33-18-20-40-42(29-33)47-38-24-22-36(38)45(40)47)31-54-44(50)17-13-9-6-8-12-16-34-19-21-41-43(30-34)48-39-25-23-37(39)46(41)48/h33-43,45-48H,4-32H2,1-3H3/t33?,34?,35-,36?,37?,38?,39?,40?,41?,42?,43?,45?,46?,47?,48?/m1/s1 |
| SMILES | C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCC1CCC2C(C1)C1C3CCC3C21)OCCCCCCCCC1CCC2C(C1)C1C3CCC3C21 |
MNX internals
| InChI (mnx) | InChI=1/C48H82NO7P/c1-49(2,3)26-28-55-57(51,52)56-32-35(53-27-14-10-5-4-7-11-15-33-18-20-40-42(29-33)47-38-24-22-36(38)45(40)47)31-54-44(50)17-13-9-6-8-12-16-34-19-21-41-43(30-34)48-39-25-23-37(39)46(41)48/h33-43,45-48H,4-32H2,1-3H3/t33?,34?,35-,36?,37?,38?,39?,40?,41?,42?,43?,45?,46?,47?,48?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][N+:49]([CH3:2])([CH3:3])[CH2:26][CH2:28][O:55][P:57](=[O:51])([O-:52])[O:56][CH2:32][C@@H:35]([CH2:31][O:54][C:44]([CH2:17][CH2:13][CH2:9][CH2:6][CH2:8][CH2:12][CH2:16][CH:34]1[CH2:19][CH2:21][CH:41]2[CH:43]([CH2:30]1)[CH:48]1[CH:39]3[CH2:25][CH2:23][CH:37]3[CH:46]21)=[O:50])[O:53][CH2:27][CH2:14][CH2:10][CH2:5][CH2:4][CH2:7][CH2:11][CH2:15][CH:33]1[CH2:18][CH2:20][CH:40]2[CH:42]([CH2:29]1)[CH:47]1[CH:38]3[CH2:24][CH2:22][CH:36]3[CH:45]21 |
|