| Properties | Image |
|---|
| MNX_ID | MNXM957018 |
 |
| reference | slm:000649403 |
| formula | C53H89NO9P |
| global charge | -1 |
| mol weight | 915.267 |
| InChIKey | WFRRKIXRESNECX-UREHLOIRSA-M |
| InChI | InChI=1S/C53H90NO9P/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-33-35-38-41-44-52(56)60-48-50(49-62-64(58,59)61-47-46-54-51(55)43-40-37-12-9-6-3)63-53(57)45-42-39-36-34-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h15-18,21-24,27-30,34,36,50H,4-14,19-20,25-26,31-33,35,37-49H2,1-3H3,(H,54,55)(H,58,59)/p-1/b17-15-,18-16-,23-21-,24-22-,29-27-,30-28-,36-34-/t50-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H90NO9P/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-33-35-38-41-44-52(56)60-48-50(49-62-64(58,59)61-47-46-54-51(55)43-40-37-12-9-6-3)63-53(57)45-42-39-36-34-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h15-18,21-24,27-30,34,36,50H,4-14,19-20,25-26,31-33,35,37-49H2,1-3H3,(H,54,55)(H,58,59)/b17-15-,18-16-,23-21-,24-22-,29-27-,30-28-,36-34-/t50-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:15]=[CH:17]\[CH2:19]/[CH:21]=[CH:23]\[CH2:25]/[CH:27]=[CH:29]\[CH2:31][CH2:33][CH2:35][CH2:38][CH2:41][CH2:44][C:52](=[O:56])[O:60][CH2:48][C@H:50]([CH2:49][O:62][P:64]([OH:58])(=[O:59])[O:61][CH2:47][CH2:46][N:54]=[C:51]([CH2:43][CH2:40][CH2:37][CH2:12][CH2:9][CH2:6][CH3:3])[OH:55])[O:63][C:53]([CH2:45][CH2:42][CH2:39]/[CH:36]=[CH:34]\[CH2:32]/[CH:30]=[CH:28]\[CH2:26]/[CH:24]=[CH:22]\[CH2:20]/[CH:18]=[CH:16]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:57] |
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