| Properties | Image |
|---|
| MNX_ID | MNXM1129624 |
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| reference | chebi:176742 |
| formula | C46H95N2O6P |
| global charge | 0 |
| mol weight | 803.248 |
| InChIKey | SHGMMFOWDHTTNK-YWPUXERESA-N |
| InChI | InChI=1S/C46H95N2O6P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-15-13-11-9-7-2/h44-45,49H,6-43H2,1-5H3,(H-,47,50,51,52)/t44-,45+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C46H95N2O6P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-15-13-11-9-7-2/h44-45,49H,6-43H2,1-5H3,(H-,47,50,51,52)/t44-,45+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:46](=[N:47][C@@H:44]([CH2:43][O:54][P:55]([O-:51])(=[O:52])[O:53][CH2:42][CH2:41][N+:48]([CH3:3])([CH3:4])[CH3:5])[C@@H:45]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:49])[OH:50] |
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