| Properties | Image |
|---|
| MNX_ID | MNXM107129 |
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| reference | chebi:70931 |
| formula | C47H95N2O6P |
| global charge | 0 |
| mol weight | 815.259 |
| InChIKey | RQCDMLAWAZUOPO-GYFRLOJISA-N |
| InChI | InChI=1S/C47H95N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-31-34-37-40-47(51)48-45(43-55-56(52,53)54-42-41-49(4,5)6)46(50)39-36-33-30-27-25-26-29-32-35-38-44(2)3/h36,39,44-46,50H,7-35,37-38,40-43H2,1-6H3,(H-,48,51,52,53)/b39-36+/t45-,46+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCC(=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/C47H95N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-31-34-37-40-47(51)48-45(43-55-56(52,53)54-42-41-49(4,5)6)46(50)39-36-33-30-27-25-26-29-32-35-38-44(2)3/h36,39,44-46,50H,7-35,37-38,40-43H2,1-6H3,(H-,48,51,52,53)/b39-36+/t45-,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][CH2:24][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][C:47](=[N:48][C@@H:45]([CH2:43][O:55][P:56]([O-:52])(=[O:53])[O:54][CH2:42][CH2:41][N+:49]([CH3:4])([CH3:5])[CH3:6])[C@@H:46](/[CH:39]=[CH:36]/[CH2:33][CH2:30][CH2:27][CH2:25][CH2:26][CH2:29][CH2:32][CH2:35][CH2:38][CH:44]([CH3:2])[CH3:3])[OH:50])[OH:51] |
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