| Properties | Image |
|---|
| MNX_ID | MNXM181860 |
 |
| reference | slm:000426256 |
| formula | C67H118O19P3 |
| global charge | -5 |
| mol weight | 1320.584 |
| InChIKey | IRXYTIXHQYKQIR-AYZRQFMWSA-I |
| InChI | InChI=1S/C67H123O19P3/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/h12,14,18,20,24,26,31,33,37,39,59,62-67,70-72H,3-11,13,15-17,19,21-23,25,27-30,32,34-36,38,40-58H2,1-2H3,(H,79,80)(H2,73,74,75)(H2,76,77,78)/p-5/b14-12-,20-18-,26-24-,33-31-,39-37-/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\CCCCCCCCC(=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)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H123O19P3/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/h12,14,18,20,24,26,31,33,37,39,59,62-67,70-72H,3-11,13,15-17,19,21-23,25,27-30,32,34-36,38,40-58H2,1-2H3,(H,79,80)(H2,73,74,75)(H2,76,77,78)/b14-12-,20-18-,26-24-,33-31-,39-37-/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][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][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]/[CH:39]=[CH: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][CH2:8][CH2:6][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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