| Properties | Image |
|---|
| MNX_ID | MNXM226251 |
 |
| reference | slm:000496400 |
| formula | C67H110O19P3 |
| global charge | -5 |
| mol weight | 1312.52 |
| InChIKey | AAJOYADYHWTJBD-MCOGERTBSA-I |
| InChI | InChI=1S/C67H115O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-34-35-37-39-41-43-45-47-49-51-53-55-60(68)81-57-59(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)83-61(69)56-54-52-50-48-46-44-42-40-38-36-33-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,28-29,31-32,36,38,59,62-67,70-72H,3-10,15-16,21-22,27,30,33-35,37,39-58H2,1-2H3,(H,79,80)(H2,73,74,75)(H2,76,77,78)/p-5/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,32-31-,38-36-/t59-,62-,63+,64+,65-,66-,67-/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\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H115O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-34-35-37-39-41-43-45-47-49-51-53-55-60(68)81-57-59(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)83-61(69)56-54-52-50-48-46-44-42-40-38-36-33-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,28-29,31-32,36,38,59,62-67,70-72H,3-10,15-16,21-22,27,30,33-35,37,39-58H2,1-2H3,(H,79,80)(H2,73,74,75)(H2,76,77,78)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,32-31-,38-36-/t59-,62-,63+,64+,65-,66-,67-/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:25]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30]/[CH:31]=[CH:32]\[CH2:34][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][C:60](=[O:68])[O:81][CH2:57][C@H:59]([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])[O:83][C:61]([CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40]/[CH:38]=[CH:36]\[CH2:33]/[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:69] |
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