| Properties | Image |
|---|
| MNX_ID | MNXM1044829 |
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| reference | slm:000737218 |
| formula | C47H81NO8P |
| global charge | -1 |
| mol weight | 819.138 |
| InChIKey | RUFGCXCGFLQRNS-PPYWVQQOSA-M |
| InChI | InChI=1S/C47H82NO8P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-37-41-53-43-45(44-55-57(51,52)54-42-40-48-46(49)38-35-9-6-3)56-47(50)39-36-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h8,11,14-17,20-23,27,29,45H,4-7,9-10,12-13,18-19,24-26,28,30-44H2,1-3H3,(H,48,49)(H,51,52)/p-1/b11-8-,16-14-,17-15-,22-20-,23-21-,29-27-/t45-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C47H82NO8P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-37-41-53-43-45(44-55-57(51,52)54-42-40-48-46(49)38-35-9-6-3)56-47(50)39-36-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h8,11,14-17,20-23,27,29,45H,4-7,9-10,12-13,18-19,24-26,28,30-44H2,1-3H3,(H,48,49)(H,51,52)/b11-8-,16-14-,17-15-,22-20-,23-21-,29-27-/t45-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:37][CH2:41][O:53][CH2:43][C@H:45]([CH2:44][O:55][P:57]([OH:51])(=[O:52])[O:54][CH2:42][CH2:40][N:48]=[C:46]([CH2:38][CH2:35][CH2:9][CH2:6][CH3:3])[OH:49])[O:56][C:47]([CH2:39][CH2:36][CH2:33][CH2:31]/[CH:29]=[CH:27]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:50] |
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