| Properties | Image |
|---|
| MNX_ID | MNXM358581 |
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| reference | slm:000035449 |
| formula | C42H80NO8P |
| global charge | 0 |
| mol weight | 758.075 |
| InChIKey | PTJUDKWNRPLHCU-PBHURVMMSA-N |
| InChI | InChI=1S/C42H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-25-22-16-14-12-10-8-6-4-2/h8,10,14,16,40H,3-7,9,11-13,15,17-39,43H2,1-2H3,(H,46,47)/b10-8-,16-14-/t40-/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[NH3+] |
MNX internals
| InChI (mnx) | InChI=1/C42H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-25-22-16-14-12-10-8-6-4-2/h8,10,14,16,40H,3-7,9,11-13,15,17-39,43H2,1-2H3,(H,46,47)/b10-8-,16-14-/t40-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:41](=[O:44])[O:48][CH2:38][C@H:40]([CH2:39][O:50][P:52]([OH:46])(=[O:47])[O:49][CH2:37][CH2:36][NH2:43])[O:51][C:42]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:22]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH2:4][CH3:2])=[O:45] |
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