| Properties | Image |
|---|
| MNX_ID | MNXM1040587 |
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| reference | slm:000732976 |
| formula | C61H111NO8P |
| global charge | -1 |
| mol weight | 1017.532 |
| InChIKey | JEWDWJRZUZIKSY-PXRMLEKASA-M |
| InChI | InChI=1S/C61H112NO8P/c1-4-7-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-50-53-61(64)70-59(58-69-71(65,66)68-56-54-62-60(63)52-49-9-6-3)57-67-55-51-48-46-44-42-40-38-23-21-19-17-15-13-11-8-5-2/h14,16-17,19-20,22,25-26,28-29,59H,4-13,15,18,21,23-24,27,30-58H2,1-3H3,(H,62,63)(H,65,66)/p-1/b16-14-,19-17-,22-20-,26-25-,29-28-/t59-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCC/C=C\CCCCCC)COP(=O)([O-])OCCNC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H112NO8P/c1-4-7-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-50-53-61(64)70-59(58-69-71(65,66)68-56-54-62-60(63)52-49-9-6-3)57-67-55-51-48-46-44-42-40-38-23-21-19-17-15-13-11-8-5-2/h14,16-17,19-20,22,25-26,28-29,59H,4-13,15,18,21,23-24,27,30-58H2,1-3H3,(H,62,63)(H,65,66)/b16-14-,19-17-,22-20-,26-25-,29-28-/t59-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:50][CH2:53][C:61](=[O:64])[O:70][C@H:59]([CH2:57][O:67][CH2:55][CH2:51][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:23][CH2:21]/[CH:19]=[CH:17]\[CH2:15][CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])[CH2:58][O:69][P:71]([OH:65])(=[O:66])[O:68][CH2:56][CH2:54][N:62]=[C:60]([CH2:52][CH2:49][CH2:9][CH2:6][CH3:3])[OH:63] |
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