| Properties | Image |
|---|
| MNX_ID | MNXM210330 |
 |
| reference | slm:000021690 |
| formula | C55H87O8P |
| global charge | -2 |
| mol weight | 907.267 |
| InChIKey | HALWYKMSUAATOZ-PVJPOILFSA-L |
| InChI | InChI=1S/C55H89O8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-45-47-49-54(56)61-51-53(52-62-64(58,59)60)63-55(57)50-48-46-44-42-40-38-36-34-31-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-24,26-27,29-31,34,38,40,53H,3-4,6,8-10,15-16,21-22,25,28,32-33,35-37,39,41-52H2,1-2H3,(H2,58,59,60)/p-2/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,30-29-,34-31-,40-38-/t53-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H89O8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-45-47-49-54(56)61-51-53(52-62-64(58,59)60)63-55(57)50-48-46-44-42-40-38-36-34-31-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-24,26-27,29-31,34,38,40,53H,3-4,6,8-10,15-16,21-22,25,28,32-33,35-37,39,41-52H2,1-2H3,(H2,58,59,60)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,30-29-,34-31-,40-38-/t53-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:54](=[O:56])[O:61][CH2:51][C@H:53]([CH2:52][O:62][P:64]([OH:58])([OH:59])=[O:60])[O:63][C:55]([CH2:50][CH2:48][CH2:46][CH2:44][CH2:42]/[CH:40]=[CH:38]\[CH2:36]/[CH:34]=[CH:31]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:57] |
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