| Properties | Image |
|---|
| MNX_ID | MNXM191338 |
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| reference | slm:000030461 |
| formula | C45H80NO8P |
| global charge | 0 |
| mol weight | 794.108 |
| InChIKey | OPJHRPGFKUCTOK-UAAOVTTGSA-N |
| InChI | InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,26,28,43H,3-10,12,15,18,20,23-25,27,29-42,46H2,1-2H3,(H,49,50)/b13-11-,16-14+,19-17-,22-21-,28-26-/t43-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)COP(=O)([O-])OCC[NH3+] |
MNX internals
| InChI (mnx) | InChI=1/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,26,28,43H,3-10,12,15,18,20,23-25,27,29-42,46H2,1-2H3,(H,49,50)/b13-11-,16-14+,19-17-,22-21-,28-26-/t43-/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]\[CH2:20]/[CH:21]=[CH:22]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:45](=[O:48])[O:54][C@H:43]([CH2:41][O:51][C:44]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:47])[CH2:42][O:53][P:55]([OH:49])(=[O:50])[O:52][CH2:40][CH2:39][NH2:46] |
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