| Properties | Image |
|---|
| MNX_ID | MNXM957585 |
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| reference | slm:000649970 |
| formula | C52H83NO9P |
| global charge | -1 |
| mol weight | 897.208 |
| InChIKey | RONALAZXDAFCOO-KYXAHGCOSA-M |
| InChI | InChI=1S/C52H84NO9P/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-50(54)53-45-46-60-63(57,58)61-48-49(62-51(55)6-3)47-59-52(56)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h7,9,13-16,19-22,25-28,31,33,37,39,49H,4-6,8,10-12,17-18,23-24,29-30,32,34-36,38,40-48H2,1-3H3,(H,53,54)(H,57,58)/p-1/b9-7-,15-13-,16-14-,21-19-,22-20-,27-25-,28-26-,33-31-,39-37-/t49-/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)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C52H84NO9P/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-50(54)53-45-46-60-63(57,58)61-48-49(62-51(55)6-3)47-59-52(56)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h7,9,13-16,19-22,25-28,31,33,37,39,49H,4-6,8,10-12,17-18,23-24,29-30,32,34-36,38,40-48H2,1-3H3,(H,53,54)(H,57,58)/b9-7-,15-13-,16-14-,21-19-,22-20-,27-25-,28-26-,33-31-,39-37-/t49-/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][CH2:43][C:50](=[N:53][CH2:45][CH2:46][O:60][P:63]([OH:57])(=[O:58])[O:61][CH2:48][C@@H:49]([CH2:47][O:59][C:52]([CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][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:56])[O:62][C:51]([CH2:6][CH3:3])=[O:55])[OH:54] |
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