| Properties | Image |
|---|
| MNX_ID | MNXM107065 |
 |
| reference | chebi:70938 |
| formula | C48H97N2O6P |
| global charge | 0 |
| mol weight | 829.286 |
| InChIKey | JWWVBMRNPGAKSM-LWQSKWNHSA-N |
| InChI | InChI=1S/C48H97N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-32-35-38-41-48(52)49-46(44-56-57(53,54)55-43-42-50(4,5)6)47(51)40-37-34-31-28-26-27-30-33-36-39-45(2)3/h37,40,45-47,51H,7-36,38-39,41-44H2,1-6H3,(H-,49,52,53,54)/b40-37+/t46-,47+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C48H97N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-32-35-38-41-48(52)49-46(44-56-57(53,54)55-43-42-50(4,5)6)47(51)40-37-34-31-28-26-27-30-33-36-39-45(2)3/h37,40,45-47,51H,7-36,38-39,41-44H2,1-6H3,(H-,49,52,53,54)/b40-37+/t46-,47+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:29][CH2:32][CH2:35][CH2:38][CH2:41][C:48](=[N:49][C@@H:46]([CH2:44][O:56][P:57]([O-:53])(=[O:54])[O:55][CH2:43][CH2:42][N+:50]([CH3:4])([CH3:5])[CH3:6])[C@@H:47](/[CH:40]=[CH:37]/[CH2:34][CH2:31][CH2:28][CH2:26][CH2:27][CH2:30][CH2:33][CH2:36][CH2:39][CH:45]([CH3:2])[CH3:3])[OH:51])[OH:52] |
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