| Properties | Image |
|---|
| MNX_ID | MNXM964694 |
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| reference | slm:000657079 |
| formula | C61H111NO9P |
| global charge | -1 |
| mol weight | 1033.531 |
| InChIKey | YDVCXTHXHCRMMQ-GLRWMMNFSA-M |
| InChI | InChI=1S/C61H112NO9P/c1-4-7-10-13-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-44-46-49-52-60(64)68-56-58(71-61(65)53-50-47-42-15-12-9-6-3)57-70-72(66,67)69-55-54-62-59(63)51-48-45-43-40-38-36-21-19-17-14-11-8-5-2/h16,18,22-23,25-26,28-29,58H,4-15,17,19-21,24,27,30-57H2,1-3H3,(H,62,63)(H,66,67)/p-1/b18-16-,23-22-,26-25-,29-28-/t58-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H112NO9P/c1-4-7-10-13-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-44-46-49-52-60(64)68-56-58(71-61(65)53-50-47-42-15-12-9-6-3)57-70-72(66,67)69-55-54-62-59(63)51-48-45-43-40-38-36-21-19-17-14-11-8-5-2/h16,18,22-23,25-26,28-29,58H,4-15,17,19-21,24,27,30-57H2,1-3H3,(H,62,63)(H,66,67)/b18-16-,23-22-,26-25-,29-28-/t58-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:18]\[CH2:20]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:37][CH2:39][CH2:41][CH2:44][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][CH2:43][CH2:40][CH2:38][CH2:36][CH2:21][CH2:19][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:63])[O:71][C:61]([CH2:53][CH2:50][CH2:47][CH2:42][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:65] |
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