| Properties | Image |
|---|
| MNX_ID | MNXM958764 |
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| reference | slm:000651149 |
| formula | C48H77NO9P |
| global charge | -1 |
| mol weight | 843.116 |
| InChIKey | RDODQGCOCVJWPN-FLQZSDEWSA-M |
| InChI | InChI=1S/C48H78NO9P/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-46(50)49-41-42-56-59(53,54)57-44-45(58-47(51)6-3)43-55-48(52)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h13-16,19-22,25-28,31-34,45H,4-12,17-18,23-24,29-30,35-44H2,1-3H3,(H,49,50)(H,53,54)/p-1/b15-13-,16-14-,21-19-,22-20-,27-25-,28-26-,33-31-,34-32-/t45-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C48H78NO9P/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-46(50)49-41-42-56-59(53,54)57-44-45(58-47(51)6-3)43-55-48(52)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h13-16,19-22,25-28,31-34,45H,4-12,17-18,23-24,29-30,35-44H2,1-3H3,(H,49,50)(H,53,54)/b15-13-,16-14-,21-19-,22-20-,27-25-,28-26-,33-31-,34-32-/t45-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:23]/[CH:25]=[CH:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:35][CH2:37][CH2:39][C:46](=[N:49][CH2:41][CH2:42][O:56][P:59]([OH:53])(=[O:54])[O:57][CH2:44][C@@H:45]([CH2:43][O:55][C:48]([CH2:40][CH2:38][CH2:36]/[CH:34]=[CH:32]\[CH2:30]/[CH:28]=[CH:26]\[CH2:24]/[CH:22]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:5][CH3:2])=[O:52])[O:58][C:47]([CH2:6][CH3:3])=[O:51])[OH:50] |
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