| Properties | Image |
|---|
| MNX_ID | MNXM1021829 |
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| reference | slm:000714218 |
| formula | C57H99NO8P |
| global charge | -1 |
| mol weight | 957.392 |
| InChIKey | PMPYWISXMQWAGX-RYEUHPIKSA-M |
| InChI | InChI=1S/C57H100NO8P/c1-4-7-10-13-16-18-20-22-24-26-28-29-31-33-35-37-40-43-46-49-57(60)66-55(54-65-67(61,62)64-52-50-58-56(59)48-45-42-39-15-12-9-6-3)53-63-51-47-44-41-38-36-34-32-30-27-25-23-21-19-17-14-11-8-5-2/h16,18,22-25,28-29,33,35,40,43,47,51,55H,4-15,17,19-21,26-27,30-32,34,36-39,41-42,44-46,48-50,52-54H2,1-3H3,(H,58,59)(H,61,62)/p-1/b18-16-,24-22-,25-23-,29-28-,35-33-,43-40-,51-47-/t55-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](CO/C=C\CCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H100NO8P/c1-4-7-10-13-16-18-20-22-24-26-28-29-31-33-35-37-40-43-46-49-57(60)66-55(54-65-67(61,62)64-52-50-58-56(59)48-45-42-39-15-12-9-6-3)53-63-51-47-44-41-38-36-34-32-30-27-25-23-21-19-17-14-11-8-5-2/h16,18,22-25,28-29,33,35,40,43,47,51,55H,4-15,17,19-21,26-27,30-32,34,36-39,41-42,44-46,48-50,52-54H2,1-3H3,(H,58,59)(H,61,62)/b18-16-,24-22-,25-23-,29-28-,35-33-,43-40-,51-47-/t55-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:18]\[CH2:20]/[CH:22]=[CH:24]\[CH2:26]/[CH:28]=[CH:29]\[CH2:31]/[CH:33]=[CH:35]\[CH2:37]/[CH:40]=[CH:43]\[CH2:46][CH2:49][C:57](=[O:60])[O:66][C@H:55]([CH2:53][O:63]/[CH:51]=[CH:47]\[CH2:44][CH2:41][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:27]/[CH:25]=[CH:23]\[CH2:21][CH2:19][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[CH2:54][O:65][P:67]([OH:61])(=[O:62])[O:64][CH2:52][CH2:50][N:58]=[C:56]([CH2:48][CH2:45][CH2:42][CH2:39][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:59] |
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