| Properties | Image |
|---|
| MNX_ID | MNXM953516 |
 |
| reference | slm:000645901 |
| formula | C65H113NO9P |
| global charge | -1 |
| mol weight | 1083.591 |
| InChIKey | LLLHZMWSLJFLKQ-KFGJPGGNSA-M |
| InChI | InChI=1S/C65H114NO9P/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-65(69)75-62(60-72-64(68)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)61-74-76(70,71)73-59-58-66-63(67)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-29,31,33-34,39,42,62H,4-15,18,21-24,30,32,35-38,40-41,43-61H2,1-3H3,(H,66,67)(H,70,71)/p-1/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,42-39-/t62-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C65H114NO9P/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-65(69)75-62(60-72-64(68)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)61-74-76(70,71)73-59-58-66-63(67)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-29,31,33-34,39,42,62H,4-15,18,21-24,30,32,35-38,40-41,43-61H2,1-3H3,(H,66,67)(H,70,71)/b19-16-,20-17-,28-25-,29-26-,33-31-,34-27-,42-39-/t62-/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:31]=[CH:33]\[CH2:36]/[CH:39]=[CH:42]\[CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][C:65](=[O:69])[O:75][C@H:62]([CH2:60][O:72][C:64]([CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:68])[CH2:61][O:74][P:76]([OH:70])(=[O:71])[O:73][CH2:59][CH2:58][N:66]=[C:63]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37]/[CH:34]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:67] |
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