| Properties | Image |
|---|
| MNX_ID | MNXM213035 |
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| reference | slm:000427153 |
| formula | C60H102O19P3 |
| global charge | -5 |
| mol weight | 1220.379 |
| InChIKey | SUOIYBJUYRQKSH-MVCWVMHESA-I |
| InChI | InChI=1S/C60H107O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-35-39-42-45-48-54(62)76-52(49-74-53(61)47-44-41-38-36-33-34-37-40-43-46-51(2)3)50-75-82(72,73)79-58-55(63)56(64)59(77-80(66,67)68)60(57(58)65)78-81(69,70)71/h5-6,8-9,11-12,14-15,17-18,20-21,51-52,55-60,63-65H,4,7,10,13,16,19,22-50H2,1-3H3,(H,72,73)(H2,66,67,68)(H2,69,70,71)/p-5/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t52-,55-,56-,57+,58+,59+,60+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)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 |
MNX internals
| InChI (mnx) | InChI=1/C60H107O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-35-39-42-45-48-54(62)76-52(49-74-53(61)47-44-41-38-36-33-34-37-40-43-46-51(2)3)50-75-82(72,73)79-58-55(63)56(64)59(77-80(66,67)68)60(57(58)65)78-81(69,70)71/h5-6,8-9,11-12,14-15,17-18,20-21,51-52,55-60,63-65H,4,7,10,13,16,19,22-50H2,1-3H3,(H,72,73)(H2,66,67,68)(H2,69,70,71)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t52-,55-,56-,57+,58+,59+,60+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:35][CH2:39][CH2:42][CH2:45][CH2:48][C:54](=[O:62])[O:76][C@H:52]([CH2:49][O:74][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:36][CH2:33][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH:51]([CH3:2])[CH3:3])=[O:61])[CH2:50][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] |
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