| Properties | Image |
|---|
| MNX_ID | MNXM957613 |
 |
| reference | slm:000649998 |
| formula | C55H89NO9P |
| global charge | -1 |
| mol weight | 939.289 |
| InChIKey | UGDMTWFMYTXHPC-RRMHFPSOSA-M |
| InChI | InChI=1S/C55H90NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43-45-53(57)56-48-49-63-66(60,61)64-51-52(65-55(59)47-42-9-6-3)50-62-54(58)46-44-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h7,10,14-17,20-23,26-29,32,34,38,40,52H,4-6,8-9,11-13,18-19,24-25,30-31,33,35-37,39,41-51H2,1-3H3,(H,56,57)(H,60,61)/p-1/b10-7-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,40-38-/t52-/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)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H90NO9P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43-45-53(57)56-48-49-63-66(60,61)64-51-52(65-55(59)47-42-9-6-3)50-62-54(58)46-44-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h7,10,14-17,20-23,26-29,32,34,38,40,52H,4-6,8-9,11-13,18-19,24-25,30-31,33,35-37,39,41-51H2,1-3H3,(H,56,57)(H,60,61)/b10-7-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,40-38-/t52-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36]/[CH:38]=[CH:40]\[CH2:43][CH2:45][C:53](=[N:56][CH2:48][CH2:49][O:63][P:66]([OH:60])(=[O:61])[O:64][CH2:51][C@@H:52]([CH2:50][O:62][C:54]([CH2:46][CH2:44][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31]/[CH:29]=[CH:27]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:58])[O:65][C:55]([CH2:47][CH2:42][CH2:9][CH2:6][CH3:3])=[O:59])[OH:57] |
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