| Properties | Image |
|---|
| MNX_ID | MNXM956537 |
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| reference | slm:000648922 |
| formula | C63H111NO9P |
| global charge | -1 |
| mol weight | 1057.553 |
| InChIKey | PDCLJMPXIQGTHH-GRHAPVSZSA-M |
| InChI | InChI=1S/C63H112NO9P/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-62(66)70-58-60(73-63(67)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2)59-72-74(68,69)71-57-56-64-61(65)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,32-33,36,38,41,60H,4-15,17,20,22-24,26,29-31,34-35,37,39-40,42-59H2,1-3H3,(H,64,65)(H,68,69)/p-1/b19-16-,21-18-,28-25-,32-27-,36-33-,41-38-/t60-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H112NO9P/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-62(66)70-58-60(73-63(67)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2)59-72-74(68,69)71-57-56-64-61(65)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3/h16,18-19,21,25,27-28,32-33,36,38,41,60H,4-15,17,20,22-24,26,29-31,34-35,37,39-40,42-59H2,1-3H3,(H,64,65)(H,68,69)/b19-16-,21-18-,28-25-,32-27-,36-33-,41-38-/t60-/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:25]=[CH:28]\[CH2:30]/[CH:33]=[CH:36]\[CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][C:62](=[O:66])[O:70][CH2:58][C@H:60]([CH2:59][O:72][P:74]([OH:68])(=[O:69])[O:71][CH2:57][CH2:56][N:64]=[C:61]([CH2:53][CH2:50][CH2:47][CH2:44]/[CH:41]=[CH:38]\[CH2:35]/[CH:32]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:65])[O:73][C:63]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:67] |
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