| Properties | Image |
|---|
| MNX_ID | MNXM232801 |
 |
| reference | slm:000427793 |
| formula | C61H98O19P3 |
| global charge | -5 |
| mol weight | 1228.358 |
| InChIKey | BWSHBIWGOSKDNP-COSOLDHGSA-I |
| InChI | InChI=1S/C61H103O19P3/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(62)75-51-53(77-55(63)50-48-46-44-42-40-38-36-34-31-22-20-18-16-14-12-10-8-6-4-2)52-76-83(73,74)80-59-56(64)57(65)60(78-81(67,68)69)61(58(59)66)79-82(70,71)72/h11-14,17-20,23-24,26-27,31,34,38,40,44,46,53,56-61,64-66H,3-10,15-16,21-22,25,28-30,32-33,35-37,39,41-43,45,47-52H2,1-2H3,(H,73,74)(H2,67,68,69)(H2,70,71,72)/p-5/b13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,34-31-,40-38-,46-44-/t53-,56-,57-,58+,59+,60+,61+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C61H103O19P3/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(62)75-51-53(77-55(63)50-48-46-44-42-40-38-36-34-31-22-20-18-16-14-12-10-8-6-4-2)52-76-83(73,74)80-59-56(64)57(65)60(78-81(67,68)69)61(58(59)66)79-82(70,71)72/h11-14,17-20,23-24,26-27,31,34,38,40,44,46,53,56-61,64-66H,3-10,15-16,21-22,25,28-30,32-33,35-37,39,41-43,45,47-52H2,1-2H3,(H,73,74)(H2,67,68,69)(H2,70,71,72)/b13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,34-31-,40-38-,46-44-/t53-,56-,57-,58+,59+,60+,61+/m1/s1 |
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| 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:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:29][CH2:30][CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:54](=[O:62])[O:75][CH2:51][C@H:53]([CH2:52][O:76][P:83]([OH:73])(=[O:74])[O:80][C@H:59]1[C@H:56]([OH:64])[C@@H:57]([OH:65])[C@H:60]([O:78][P:81]([OH:67])([OH:68])=[O:69])[C@@H:61]([O:79][P:82]([OH:70])([OH:71])=[O:72])[C@H:58]1[OH:66])[O:77][C:55]([CH2:50][CH2:48]/[CH:46]=[CH: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:63] |
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