| Properties | Image |
|---|
| MNX_ID | MNXM954071 |
 |
| reference | slm:000646456 |
| formula | C53H87NO9P |
| global charge | -1 |
| mol weight | 913.251 |
| InChIKey | WQAZGCZQDFZBGJ-WASPWXOKSA-M |
| InChI | InChI=1S/C53H88NO9P/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-44-51(55)54-46-47-61-64(58,59)62-49-50(63-53(57)43-6-3)48-60-52(56)45-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h7,9,13-16,19-22,25,27,31,33,37,39,50H,4-6,8,10-12,17-18,23-24,26,28-30,32,34-36,38,40-49H2,1-3H3,(H,54,55)(H,58,59)/p-1/b9-7-,15-13-,16-14-,21-19-,22-20-,27-25-,33-31-,39-37-/t50-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C53H88NO9P/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-44-51(55)54-46-47-61-64(58,59)62-49-50(63-53(57)43-6-3)48-60-52(56)45-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h7,9,13-16,19-22,25,27,31,33,37,39,50H,4-6,8,10-12,17-18,23-24,26,28-30,32,34-36,38,40-49H2,1-3H3,(H,54,55)(H,58,59)/b9-7-,15-13-,16-14-,21-19-,22-20-,27-25-,33-31-,39-37-/t50-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH: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]/[CH:37]=[CH:39]\[CH2:41][CH2:44][C:51](=[N:54][CH2:46][CH2:47][O:61][P:64]([OH:58])(=[O:59])[O:62][CH2:49][C@@H:50]([CH2:48][O:60][C:52]([CH2:45][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24]/[CH:22]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:5][CH3:2])=[O:56])[O:63][C:53]([CH2:43][CH2:6][CH3:3])=[O:57])[OH:55] |
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