| Properties | Image |
|---|
| MNX_ID | MNXM181425 |
 |
| reference | slm:000439019 |
| formula | C63H99O22P4 |
| global charge | -7 |
| mol weight | 1332.359 |
| InChIKey | CKGOOZKRHPRZLW-WMRNARTJSA-G |
| InChI | InChI=1S/C63H106O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-30-31-33-35-37-39-41-43-45-47-49-51-56(64)79-53-55(81-57(65)52-50-48-46-44-42-40-38-36-34-32-29-26-24-22-20-18-16-14-12-10-8-6-4-2)54-80-89(77,78)85-60-58(66)61(82-86(68,69)70)63(84-88(74,75)76)62(59(60)67)83-87(71,72)73/h11-14,17-20,23-26,28,30,32-35,38,40,55,58-63,66-67H,3-10,15-16,21-22,27,29,31,36-37,39,41-54H2,1-2H3,(H,77,78)(H2,68,69,70)(H2,71,72,73)(H2,74,75,76)/p-7/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-28-,34-32-,35-33-,40-38-/t55-,58+,59+,60-,61+,62-,63-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H106O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-30-31-33-35-37-39-41-43-45-47-49-51-56(64)79-53-55(81-57(65)52-50-48-46-44-42-40-38-36-34-32-29-26-24-22-20-18-16-14-12-10-8-6-4-2)54-80-89(77,78)85-60-58(66)61(82-86(68,69)70)63(84-88(74,75)76)62(59(60)67)83-87(71,72)73/h11-14,17-20,23-26,28,30,32-35,38,40,55,58-63,66-67H,3-10,15-16,21-22,27,29,31,36-37,39,41-54H2,1-2H3,(H,77,78)(H2,68,69,70)(H2,71,72,73)(H2,74,75,76)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-28-,34-32-,35-33-,40-38-/t55-,58+,59+,60-,61+,62-,63-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:28]=[CH:30]\[CH2:31]/[CH:33]=[CH:35]\[CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][C:56](=[O:64])[O:79][CH2:53][C@H:55]([CH2:54][O:80][P:89]([OH:77])(=[O:78])[O:85][C@@H:60]1[C@H:58]([OH:66])[C@H:61]([O:82][P:86]([OH:68])([OH:69])=[O:70])[C@@H:63]([O:84][P:88]([OH:74])([OH:75])=[O:76])[C@H:62]([O:83][P:87]([OH:71])([OH:72])=[O:73])[C@H:59]1[OH:67])[O:81][C:57]([CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42]/[CH:40]=[CH:38]\[CH2:36]/[CH:34]=[CH:32]\[CH2:29]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:65] |
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