| Properties | Image |
|---|
| MNX_ID | MNXM106905 |
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| reference | chebi:70946 |
| formula | C48H97N2O7P |
| global charge | 0 |
| mol weight | 845.285 |
| InChIKey | XDEORTFMNYUGLJ-PDTYYUCESA-N |
| InChI | InChI=1S/C48H97N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-31-34-37-40-47(52)48(53)49-45(43-57-58(54,55)56-42-41-50(4,5)6)46(51)39-36-33-30-28-25-26-29-32-35-38-44(2)3/h36,39,44-47,51-52H,7-35,37-38,40-43H2,1-6H3,(H-,49,53,54,55)/b39-36+/t45-,46+,47?/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCC(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/C48H97N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-31-34-37-40-47(52)48(53)49-45(43-57-58(54,55)56-42-41-50(4,5)6)46(51)39-36-33-30-28-25-26-29-32-35-38-44(2)3/h36,39,44-47,51-52H,7-35,37-38,40-43H2,1-6H3,(H-,49,53,54,55)/b39-36+/t45-,46+,47?/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][CH2:24][CH2:27][CH2:31][CH2:34][CH2:37][CH2:40][CH:47]([C:48](=[N:49][C@@H:45]([CH2:43][O:57][P:58]([O-:54])(=[O:55])[O:56][CH2:42][CH2:41][N+:50]([CH3:4])([CH3:5])[CH3:6])[C@@H:46](/[CH:39]=[CH:36]/[CH2:33][CH2:30][CH2:28][CH2:25][CH2:26][CH2:29][CH2:32][CH2:35][CH2:38][CH:44]([CH3:2])[CH3:3])[OH:51])[OH:53])[OH:52] |
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