| Properties | Image |
|---|
| MNX_ID | MNXM957697 |
 |
| reference | slm:000650082 |
| formula | C67H113NO9P |
| global charge | -1 |
| mol weight | 1107.613 |
| InChIKey | YXIHWUOVGLQFTF-YVIHKNPWSA-M |
| InChI | InChI=1S/C67H114NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-65(69)68-60-61-75-78(72,73)76-63-64(77-67(71)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)62-74-66(70)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32-35,39,42,48,51,64H,4-6,8-9,11-15,18,21-24,27,30-31,36-38,40-41,43-47,49-50,52-63H2,1-3H3,(H,68,69)(H,72,73)/p-1/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,42-39-,51-48-/t64-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H114NO9P/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-65(69)68-60-61-75-78(72,73)76-63-64(77-67(71)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)62-74-66(70)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32-35,39,42,48,51,64H,4-6,8-9,11-15,18,21-24,27,30-31,36-38,40-41,43-47,49-50,52-63H2,1-3H3,(H,68,69)(H,72,73)/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,42-39-,51-48-/t64-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:37]/[CH:39]=[CH:42]\[CH2:45]/[CH:48]=[CH:51]\[CH2:54][CH2:57][C:65](=[N:68][CH2:60][CH2:61][O:75][P:78]([OH:72])(=[O:73])[O:76][CH2:63][C@@H:64]([CH2:62][O:74][C:66]([CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:38]/[CH:35]=[CH:33]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:70])[O:77][C:67]([CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:36][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:71])[OH:69] |
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