| Properties | Image |
|---|
| MNX_ID | MNXM953948 |
 |
| reference | slm:000646333 |
| formula | C64H113NO9P |
| global charge | -1 |
| mol weight | 1071.58 |
| InChIKey | NNHCILSPAXETOQ-FGOKPDSASA-M |
| InChI | InChI=1S/C64H114NO9P/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-62(66)65-57-58-72-75(69,70)73-60-61(74-64(68)56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)59-71-63(67)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,36,42,45,61H,4-15,18,21-24,27,30-32,34-35,37-41,43-44,46-60H2,1-3H3,(H,65,66)(H,69,70)/p-1/b19-16-,20-17-,28-25-,29-26-,36-33-,45-42-/t61-/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)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C64H114NO9P/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-62(66)65-57-58-72-75(69,70)73-60-61(74-64(68)56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)59-71-63(67)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-29,33,36,42,45,61H,4-15,18,21-24,27,30-32,34-35,37-41,43-44,46-60H2,1-3H3,(H,65,66)(H,69,70)/b19-16-,20-17-,28-25-,29-26-,36-33-,45-42-/t61-/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:33]=[CH:36]\[CH2:39]/[CH:42]=[CH:45]\[CH2:48][CH2:51][CH2:54][C:62](=[N:65][CH2:57][CH2:58][O:72][P:75]([OH:69])(=[O:70])[O:73][CH2:60][C@@H:61]([CH2:59][O:71][C:63]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][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:67])[O:74][C:64]([CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:34][CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:68])[OH:66] |
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