| Properties | Image |
|---|
| MNX_ID | MNXM960804 |
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| reference | slm:000653189 |
| formula | C63H107NO9P |
| global charge | -1 |
| mol weight | 1053.521 |
| InChIKey | RAPHUXNTUIFHHO-MTIMWDQTSA-M |
| InChI | InChI=1S/C63H108NO9P/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-62(66)70-58-60(73-63(67)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)59-72-74(68,69)71-57-56-64-61(65)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28,30-32,36,39,60H,4-7,9-10,12-15,18,22-23,27,29,33-35,37-38,40-59H2,1-3H3,(H,64,65)(H,68,69)/p-1/b11-8-,19-16-,20-17-,24-21+,28-25-,31-30-,32-26-,39-36-/t60-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCC/C=C/CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H108NO9P/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-62(66)70-58-60(73-63(67)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)59-72-74(68,69)71-57-56-64-61(65)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-26,28,30-32,36,39,60H,4-7,9-10,12-15,18,22-23,27,29,33-35,37-38,40-59H2,1-3H3,(H,64,65)(H,68,69)/b11-8-,19-16-,20-17-,24-21+,28-25-,31-30-,32-26-,39-36-/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]\[CH2:29]/[CH:30]=[CH:31]\[CH2:34]/[CH:36]=[CH: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][CH2:41][CH2:38][CH2:35]/[CH:32]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])[OH:65])[O:73][C:63]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:33][CH2:27]/[CH:24]=[CH:21]/[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:67] |
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