| Properties | Image |
|---|
| MNX_ID | MNXM185099 |
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| reference | slm:000030407 |
| formula | C46H86NO8P |
| global charge | 0 |
| mol weight | 812.167 |
| InChIKey | LJSSOQDVKWUCEM-VTGASHMWSA-N |
| InChI | InChI=1S/C46H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47)55-46(49)39-37-35-33-31-29-27-24-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,44H,3-10,12,14-16,18,20-21,24-43,47H2,1-2H3,(H,50,51)/b13-11-,19-17-,23-22-/t44-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C46H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47)55-46(49)39-37-35-33-31-29-27-24-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,44H,3-10,12,14-16,18,20-21,24-43,47H2,1-2H3,(H,50,51)/b13-11-,19-17-,23-22-/t44-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:45](=[O:48])[O:52][CH2:42][C@H:44]([CH2:43][O:54][P:56]([OH:50])(=[O:51])[O:53][CH2:41][CH2:40][NH2:47])[O:55][C:46]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:24][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:49] |
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