| Properties | Image |
|---|
| MNX_ID | MNXM227188 |
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| reference | slm:000495113 |
| formula | C60H105O16P2 |
| global charge | -3 |
| mol weight | 1144.432 |
| InChIKey | HWOISLHDNSTVQF-CPRKXOTOSA-K |
| InChI | InChI=1S/C60H108O16P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48-53(61)72-50-52(74-54(62)49-47-45-43-41-39-37-34-20-18-16-14-12-10-8-6-4-2)51-73-78(70,71)76-60-57(65)55(63)56(64)59(58(60)66)75-77(67,68)69/h11,13,17,19,22-23,25-26,28-29,52,55-60,63-66H,3-10,12,14-16,18,20-21,24,27,30-51H2,1-2H3,(H,70,71)(H2,67,68,69)/p-3/b13-11-,19-17-,23-22-,26-25-,29-28-/t52-,55+,56+,57-,58-,59-,60+/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](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C60H108O16P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48-53(61)72-50-52(74-54(62)49-47-45-43-41-39-37-34-20-18-16-14-12-10-8-6-4-2)51-73-78(70,71)76-60-57(65)55(63)56(64)59(58(60)66)75-77(67,68)69/h11,13,17,19,22-23,25-26,28-29,52,55-60,63-66H,3-10,12,14-16,18,20-21,24,27,30-51H2,1-2H3,(H,70,71)(H2,67,68,69)/b13-11-,19-17-,23-22-,26-25-,29-28-/t52-,55+,56+,57-,58-,59-,60+/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:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30][CH2:31][CH2:32][CH2:33][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:53](=[O:61])[O:72][CH2:50][C@H:52]([CH2:51][O:73][P:78]([OH:70])(=[O:71])[O:76][C@H:60]1[C@H:57]([OH:65])[C@@H:55]([OH:63])[C@H:56]([OH:64])[C@@H:59]([O:75][P:77]([OH:67])([OH:68])=[O:69])[C@H:58]1[OH:66])[O:74][C:54]([CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:34][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:62] |
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