| Properties | Image |
|---|
| MNX_ID | MNXM955152 |
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| reference | slm:000647537 |
| formula | C61H105NO9P |
| global charge | -1 |
| mol weight | 1027.483 |
| InChIKey | QHVXVFZAYUHEAW-IPJLXQHDSA-M |
| InChI | InChI=1S/C61H106NO9P/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-60(64)68-56-58(71-61(65)53-50-47-44-41-36-21-18-15-12-9-6-3)57-70-72(66,67)69-55-54-62-59(63)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,32,34,39,42,58H,4-14,21-23,28-31,33,35-38,40-41,43-57H2,1-3H3,(H,62,63)(H,66,67)/p-1/b18-15-,19-16-,20-17-,26-24-,27-25-,34-32-,42-39-/t58-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H106NO9P/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-60(64)68-56-58(71-61(65)53-50-47-44-41-36-21-18-15-12-9-6-3)57-70-72(66,67)69-55-54-62-59(63)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,32,34,39,42,58H,4-14,21-23,28-31,33,35-38,40-41,43-57H2,1-3H3,(H,62,63)(H,66,67)/b18-15-,19-16-,20-17-,26-24-,27-25-,34-32-,42-39-/t58-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:38][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][C:60](=[O:64])[O:68][CH2:56][C@H:58]([CH2:57][O:70][P:72]([OH:66])(=[O:67])[O:69][CH2:55][CH2:54][N:62]=[C:59]([CH2:51][CH2:48][CH2:45]/[CH:42]=[CH:39]\[CH2:37]/[CH:34]=[CH:32]\[CH2:30]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:63])[O:71][C:61]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:36][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:65] |
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