| Properties | Image |
|---|
| MNX_ID | MNXM349953 |
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| reference | slm:000035249 |
| formula | C47H84NO8P |
| global charge | 0 |
| mol weight | 822.162 |
| InChIKey | SHBMTPXEWJYDGX-AXCSMCBOSA-N |
| InChI | InChI=1S/C47H84NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-12-10-8-6-4-2/h11,13,15-16,18-19,21-22,24-25,45H,3-10,12,14,17,20,23,26-44,48H2,1-2H3,(H,51,52)/b13-11-,16-15-,19-18-,22-21-,25-24-/t45-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)([O-])OCC[NH3+] |
MNX internals
| InChI (mnx) | InChI=1/C47H84NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-12-10-8-6-4-2/h11,13,15-16,18-19,21-22,24-25,45H,3-10,12,14,17,20,23,26-44,48H2,1-2H3,(H,51,52)/b13-11-,16-15-,19-18-,22-21-,25-24-/t45-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:47](=[O:50])[O:56][C@H:45]([CH2:43][O:53][C:46]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:49])[CH2:44][O:55][P:57]([OH:51])(=[O:52])[O:54][CH2:42][CH2:41][NH2:48] |
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