| Properties | Image |
|---|
| MNX_ID | MNXM955869 |
 |
| reference | slm:000648254 |
| formula | C53H89NO9P |
| global charge | -1 |
| mol weight | 915.267 |
| InChIKey | NTRALYRABKMHSI-UIGXLHNTSA-M |
| InChI | InChI=1S/C53H90NO9P/c1-4-7-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-42-45-53(57)63-50(49-62-64(58,59)61-47-46-54-51(55)43-40-9-6-3)48-60-52(56)44-41-38-36-34-32-30-28-21-19-17-15-13-11-8-5-2/h14-17,20-22,24-25,27-29,32,34,50H,4-13,18-19,23,26,30-31,33,35-49H2,1-3H3,(H,54,55)(H,58,59)/p-1/b16-14-,17-15-,22-20-,25-24-,28-21-,29-27-,34-32-/t50-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H90NO9P/c1-4-7-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-42-45-53(57)63-50(49-62-64(58,59)61-47-46-54-51(55)43-40-9-6-3)48-60-52(56)44-41-38-36-34-32-30-28-21-19-17-15-13-11-8-5-2/h14-17,20-22,24-25,27-29,32,34,50H,4-13,18-19,23,26,30-31,33,35-49H2,1-3H3,(H,54,55)(H,58,59)/b16-14-,17-15-,22-20-,25-24-,28-21-,29-27-,34-32-/t50-/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]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:29]\[CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:42][CH2:45][C:53](=[O:57])[O:63][C@H:50]([CH2:48][O:60][C:52]([CH2:44][CH2:41][CH2:38][CH2:36]/[CH:34]=[CH:32]\[CH2:30]/[CH:28]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:56])[CH2:49][O:62][P:64]([OH:58])(=[O:59])[O:61][CH2:47][CH2:46][N:54]=[C:51]([CH2:43][CH2:40][CH2:9][CH2:6][CH3:3])[OH:55] |
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