| Properties | Image |
|---|
| MNX_ID | MNXM953534 |
 |
| reference | slm:000645919 |
| formula | C63H111NO9P |
| global charge | -1 |
| mol weight | 1057.553 |
| InChIKey | UAUSSXKWGKTBFK-MUQIRXMQSA-M |
| InChI | InChI=1S/C63H112NO9P/c1-4-7-10-13-16-19-21-23-25-27-28-29-30-31-32-34-36-38-40-43-46-49-52-55-63(67)73-60(59-72-74(68,69)71-57-56-64-61(65)53-50-47-44-41-18-15-12-9-6-3)58-70-62(66)54-51-48-45-42-39-37-35-33-26-24-22-20-17-14-11-8-5-2/h16-17,19-20,23-26,28-29,31-32,60H,4-15,18,21-22,27,30,33-59H2,1-3H3,(H,64,65)(H,68,69)/p-1/b19-16-,20-17-,25-23-,26-24-,29-28-,32-31-/t60-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H112NO9P/c1-4-7-10-13-16-19-21-23-25-27-28-29-30-31-32-34-36-38-40-43-46-49-52-55-63(67)73-60(59-72-74(68,69)71-57-56-64-61(65)53-50-47-44-41-18-15-12-9-6-3)58-70-62(66)54-51-48-45-42-39-37-35-33-26-24-22-20-17-14-11-8-5-2/h16-17,19-20,23-26,28-29,31-32,60H,4-15,18,21-22,27,30,33-59H2,1-3H3,(H,64,65)(H,68,69)/b19-16-,20-17-,25-23-,26-24-,29-28-,32-31-/t60-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30]/[CH:31]=[CH:32]\[CH2:34][CH2:36][CH2:38][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][C:63](=[O:67])[O:73][C@H:60]([CH2:58][O:70][C:62]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:37][CH2:35][CH2:33]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:66])[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][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:65] |
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