| Properties | Image |
|---|
| MNX_ID | MNXM227189 |
 |
| reference | slm:000496429 |
| formula | C60H104O19P3 |
| global charge | -5 |
| mol weight | 1222.395 |
| InChIKey | TXZZJFYLRUMHFA-FZFAQGCCSA-I |
| InChI | InChI=1S/C60H109O19P3/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)74-50-52(76-54(62)49-47-45-43-41-39-37-34-20-18-16-14-12-10-8-6-4-2)51-75-82(72,73)79-58-55(63)56(64)59(77-80(66,67)68)60(57(58)65)78-81(69,70)71/h11,13,17,19,22-23,25-26,28-29,52,55-60,63-65H,3-10,12,14-16,18,20-21,24,27,30-51H2,1-2H3,(H,72,73)(H2,66,67,68)(H2,69,70,71)/p-5/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](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C60H109O19P3/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)74-50-52(76-54(62)49-47-45-43-41-39-37-34-20-18-16-14-12-10-8-6-4-2)51-75-82(72,73)79-58-55(63)56(64)59(77-80(66,67)68)60(57(58)65)78-81(69,70)71/h11,13,17,19,22-23,25-26,28-29,52,55-60,63-65H,3-10,12,14-16,18,20-21,24,27,30-51H2,1-2H3,(H,72,73)(H2,66,67,68)(H2,69,70,71)/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:74][CH2:50][C@H:52]([CH2:51][O:75][P:82]([OH:72])(=[O:73])[O:79][C@@H:58]1[C@H:55]([OH:63])[C@H:56]([OH:64])[C@@H:59]([O:77][P:80]([OH:66])([OH:67])=[O:68])[C@H:60]([O:78][P:81]([OH:69])([OH:70])=[O:71])[C@H:57]1[OH:65])[O:76][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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