| Properties | Image |
|---|
| MNX_ID | MNXM221684 |
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| reference | slm:000031526 |
| formula | C45H86NO8P |
| global charge | 0 |
| mol weight | 800.156 |
| InChIKey | SRFMGBYVWNOPCH-HWOPSQQMSA-N |
| InChI | InChI=1S/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h14,16-17,19,43H,3-13,15,18,20-42,46H2,1-2H3,(H,49,50)/b16-14+,19-17-/t43-/m1/s1 |
| SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[NH3+] |
MNX internals
| InChI (mnx) | InChI=1/C45H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h14,16-17,19,43H,3-13,15,18,20-42,46H2,1-2H3,(H,49,50)/b16-14+,19-17-/t43-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:44](=[O:47])[O:51][CH2:41][C@H:43]([CH2:42][O:53][P:55]([OH:49])(=[O:50])[O:52][CH2:40][CH2:39][NH2:46])[O:54][C:45]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:23][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:48] |
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