| Properties | Image |
|---|
| MNX_ID | MNXM953090 |
 |
| reference | slm:000645475 |
| formula | C61H103NO9P |
| global charge | -1 |
| mol weight | 1025.467 |
| InChIKey | DDIFIDGFQBURGL-VCIJMOSESA-M |
| InChI | InChI=1S/C61H104NO9P/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-60(64)68-56-58(71-61(65)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)57-70-72(66,67)69-55-54-62-59(63)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,30-31,58H,4-7,10,13-15,22-24,29,32-57H2,1-3H3,(H,62,63)(H,66,67)/p-1/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-/t58-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C61H104NO9P/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-60(64)68-56-58(71-61(65)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)57-70-72(66,67)69-55-54-62-59(63)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h8-9,11-12,16-21,25-28,30-31,58H,4-7,10,13-15,22-24,29,32-57H2,1-3H3,(H,62,63)(H,66,67)/b11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-/t58-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:29][CH2:32][CH2:34][CH2:37][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][CH2:42][CH2:39][CH2:36][CH2:33]/[CH:30]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])[OH:63])[O:71][C:61]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35]/[CH:31]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:65] |
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