| Properties | Image |
|---|
| MNX_ID | MNXM953486 |
 |
| reference | slm:000645871 |
| formula | C67H113NO9P |
| global charge | -1 |
| mol weight | 1107.613 |
| InChIKey | PCKBIBXLBCQQBW-DYRSSFRRSA-M |
| InChI | InChI=1S/C67H114NO9P/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-67(71)77-64(62-74-66(70)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)63-76-78(72,73)75-61-60-68-65(69)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,32,35-36,39,45,48,64H,4-15,22-24,31,33-34,37-38,40-44,46-47,49-63H2,1-3H3,(H,68,69)(H,72,73)/p-1/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,48-45-/t64-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H114NO9P/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-67(71)77-64(62-74-66(70)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)63-76-78(72,73)75-61-60-68-65(69)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,32,35-36,39,45,48,64H,4-15,22-24,31,33-34,37-38,40-44,46-47,49-63H2,1-3H3,(H,68,69)(H,72,73)/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-32-,39-36-,48-45-/t64-/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]\[CH2:31]/[CH:32]=[CH:35]\[CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][C:67](=[O:71])[O:77][C@H:64]([CH2:62][O:74][C:66]([CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:70])[CH2:63][O:76][P:78]([OH:72])(=[O:73])[O:75][CH2:61][CH2:60][N:68]=[C:65]([CH2:57][CH2:54][CH2:51]/[CH:48]=[CH:45]\[CH2:42]/[CH:39]=[CH:36]\[CH2:33]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:69] |
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