| Properties | Image |
|---|
| MNX_ID | MNXM1046798 |
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| reference | slm:000739187 |
| formula | C54H101NO8P |
| global charge | -1 |
| mol weight | 923.375 |
| InChIKey | XYFMWJBDNUDZKM-QRENFUSXSA-M |
| InChI | InChI=1S/C54H102NO8P/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-48-60-50-52(63-54(57)46-43-40-37-34-21-18-15-12-9-6-3)51-62-64(58,59)61-49-47-55-53(56)45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h13,16-17,20,25,27,52H,4-12,14-15,18-19,21-24,26,28-51H2,1-3H3,(H,55,56)(H,58,59)/p-1/b16-13-,20-17-,27-25-/t52-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H102NO8P/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-48-60-50-52(63-54(57)46-43-40-37-34-21-18-15-12-9-6-3)51-62-64(58,59)61-49-47-55-53(56)45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h13,16-17,20,25,27,52H,4-12,14-15,18-19,21-24,26,28-51H2,1-3H3,(H,55,56)(H,58,59)/b16-13-,20-17-,27-25-/t52-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10]/[CH:13]=[CH:16]\[CH2:19][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:48][O:60][CH2:50][C@H:52]([CH2:51][O:62][P:64]([OH:58])(=[O:59])[O:61][CH2:49][CH2:47][N:55]=[C:53]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:31][CH2:29]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:56])[O:63][C:54]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:57] |
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