| Properties | Image |
|---|
| MNX_ID | MNXM226276 |
 |
| reference | slm:000491788 |
| formula | C61H102O19P3 |
| global charge | -5 |
| mol weight | 1232.39 |
| InChIKey | JEDZTDFBWNFIDB-LPYOABKUSA-I |
| InChI | InChI=1S/C61H107O19P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-34-35-37-39-41-43-45-47-49-54(62)75-51-53(77-55(63)50-48-46-44-42-40-38-36-33-20-18-16-14-12-10-8-6-4-2)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/h11-14,17-20,22-23,25-26,28-29,53,56-61,64-66H,3-10,15-16,21,24,27,30-52H2,1-2H3,(H,73,74)(H2,67,68,69)(H2,70,71,72)/p-5/b13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,29-28-/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\CCCCCCCCCCCCC(=O)OC[C@H](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)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H107O19P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-34-35-37-39-41-43-45-47-49-54(62)75-51-53(77-55(63)50-48-46-44-42-40-38-36-33-20-18-16-14-12-10-8-6-4-2)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/h11-14,17-20,22-23,25-26,28-29,53,56-61,64-66H,3-10,15-16,21,24,27,30-52H2,1-2H3,(H,73,74)(H2,67,68,69)(H2,70,71,72)/b13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,29-28-/t53-,56-,57-,58+,59+,60+,61+/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:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30][CH2:31][CH2:32][CH2:34][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][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:33]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:63] |
|