| Properties | Image |
|---|
| MNX_ID | MNXM360721 |
 |
| reference | slm:000495681 |
| formula | C60H105O16P2 |
| global charge | -3 |
| mol weight | 1144.432 |
| InChIKey | XXZBZYKGXOCLFN-LAHWZRAYSA-K |
| InChI | InChI=1S/C60H108O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-54(62)74-52(50-72-53(61)48-46-44-42-40-38-36-18-16-14-12-10-8-6-4-2)51-73-78(70,71)76-60-57(65)55(63)59(56(64)58(60)66)75-77(67,68)69/h11,13,17,19,21-22,24-25,27-28,52,55-60,63-66H,3-10,12,14-16,18,20,23,26,29-51H2,1-2H3,(H,70,71)(H2,67,68,69)/p-3/b13-11-,19-17-,22-21-,25-24-,28-27-/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\CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C60H108O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-54(62)74-52(50-72-53(61)48-46-44-42-40-38-36-18-16-14-12-10-8-6-4-2)51-73-78(70,71)76-60-57(65)55(63)59(56(64)58(60)66)75-77(67,68)69/h11,13,17,19,21-22,24-25,27-28,52,55-60,63-66H,3-10,12,14-16,18,20,23,26,29-51H2,1-2H3,(H,70,71)(H2,67,68,69)/b13-11-,19-17-,22-21-,25-24-,28-27-/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]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:54](=[O:62])[O:74][C@H:52]([CH2:50][O:72][C:53]([CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:61])[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:59]([O:75][P:77]([OH:67])([OH:68])=[O:69])[C@@H:56]([OH:64])[C@H:58]1[OH:66] |
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