| Properties | Image |
|---|
| MNX_ID | MNXM301554 |
 |
| reference | slm:000494134 |
| formula | C65H106O19P3 |
| global charge | -5 |
| mol weight | 1284.466 |
| InChIKey | BRJNNRYSNGEBMQ-FSLDYYECSA-I |
| InChI | InChI=1S/C65H111O19P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-59(67)81-57(55-79-58(66)53-51-49-47-45-43-41-39-37-20-18-16-14-12-10-8-6-4-2)56-80-87(77,78)84-65-61(69)63(82-85(71,72)73)60(68)64(62(65)70)83-86(74,75)76/h6,8,11-14,17-20,22-23,25-26,28-29,39,41,57,60-65,68-70H,3-5,7,9-10,15-16,21,24,27,30-38,40,42-56H2,1-2H3,(H,77,78)(H2,71,72,73)(H2,74,75,76)/p-5/b8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,29-28-,41-39-/t57-,60-,61-,62-,63-,64+,65-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=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](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C65H111O19P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-59(67)81-57(55-79-58(66)53-51-49-47-45-43-41-39-37-20-18-16-14-12-10-8-6-4-2)56-80-87(77,78)84-65-61(69)63(82-85(71,72)73)60(68)64(62(65)70)83-86(74,75)76/h6,8,11-14,17-20,22-23,25-26,28-29,39,41,57,60-65,68-70H,3-5,7,9-10,15-16,21,24,27,30-38,40,42-56H2,1-2H3,(H,77,78)(H2,71,72,73)(H2,74,75,76)/b8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,29-28-,41-39-/t57-,60-,61-,62-,63-,64+,65-/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][CH2:34][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][C:59](=[O:67])[O:81][C@H:57]([CH2:55][O:79][C:58]([CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43]/[CH:41]=[CH:39]\[CH2:37]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:66])[CH2:56][O:80][P:87]([OH:77])(=[O:78])[O:84][C@@H:65]1[C@H:61]([OH:69])[C@H:63]([O:82][P:85]([OH:71])([OH:72])=[O:73])[C@@H:60]([OH:68])[C@H:64]([O:83][P:86]([OH:74])([OH:75])=[O:76])[C@H:62]1[OH:70] |
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