| Properties | Image |
|---|
| MNX_ID | MNXM106953 |
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| reference | chebi:70939 |
| formula | C47H95N2O7P |
| global charge | 0 |
| mol weight | 831.258 |
| InChIKey | CCOVPWPRULOZOO-PLACYDAFSA-N |
| InChI | InChI=1S/C47H95N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-33-36-39-46(51)47(52)48-44(42-56-57(53,54)55-41-40-49(4,5)6)45(50)38-35-32-29-27-24-25-28-31-34-37-43(2)3/h35,38,43-46,50-51H,7-34,36-37,39-42H2,1-6H3,(H-,48,52,53,54)/b38-35+/t44-,45+,46?/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCC(O)C(=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/C47H95N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-33-36-39-46(51)47(52)48-44(42-56-57(53,54)55-41-40-49(4,5)6)45(50)38-35-32-29-27-24-25-28-31-34-37-43(2)3/h35,38,43-46,50-51H,7-34,36-37,39-42H2,1-6H3,(H-,48,52,53,54)/b38-35+/t44-,45+,46?/m0/s1 |
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| 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][CH2:26][CH2:30][CH2:33][CH2:36][CH2:39][CH:46]([C:47](=[N:48][C@@H:44]([CH2:42][O:56][P:57]([O-:53])(=[O:54])[O:55][CH2:41][CH2:40][N+:49]([CH3:4])([CH3:5])[CH3:6])[C@@H:45](/[CH:38]=[CH:35]/[CH2:32][CH2:29][CH2:27][CH2:24][CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][CH:43]([CH3:2])[CH3:3])[OH:50])[OH:52])[OH:51] |
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