| Properties | Image |
|---|
| MNX_ID | MNXM215939 |
 |
| reference | slm:000465607 |
| formula | C67H108O19P3 |
| global charge | -5 |
| mol weight | 1310.504 |
| InChIKey | RKFTURBUJLCVGJ-PRHSMTRWSA-I |
| InChI | InChI=1S/C67H113O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-32-34-36-38-40-42-44-46-48-50-52-54-56-61(69)83-59(58-82-89(79,80)86-65-62(70)63(71)66(84-87(73,74)75)67(64(65)72)85-88(76,77)78)57-81-60(68)55-53-51-49-47-45-43-41-39-37-35-33-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-31,33-34,36,59,62-67,70-72H,3-5,7,9-10,15-16,21-22,27-28,32,35,37-58H2,1-2H3,(H,79,80)(H2,73,74,75)(H2,76,77,78)/p-5/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,33-31-,36-34-/t59-,62-,63+,64+,65-,66-,67-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=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)CCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H113O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-32-34-36-38-40-42-44-46-48-50-52-54-56-61(69)83-59(58-82-89(79,80)86-65-62(70)63(71)66(84-87(73,74)75)67(64(65)72)85-88(76,77)78)57-81-60(68)55-53-51-49-47-45-43-41-39-37-35-33-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-31,33-34,36,59,62-67,70-72H,3-5,7,9-10,15-16,21-22,27-28,32,35,37-58H2,1-2H3,(H,79,80)(H2,73,74,75)(H2,76,77,78)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,33-31-,36-34-/t59-,62-,63+,64+,65-,66-,67-/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:29]=[CH:30]\[CH2:32]/[CH:34]=[CH:36]\[CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][C:61](=[O:69])[O:83][C@H:59]([CH2:57][O:81][C:60]([CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35]/[CH:33]=[CH:31]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:68])[CH2:58][O:82][P:89]([OH:79])(=[O:80])[O:86][C@@H:65]1[C@H:62]([OH:70])[C@H:63]([OH:71])[C@@H:66]([O:84][P:87]([OH:73])([OH:74])=[O:75])[C@H:67]([O:85][P:88]([OH:76])([OH:77])=[O:78])[C@H:64]1[OH:72] |
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