| Properties | Image |
|---|
| MNX_ID | MNXM232340 |
 |
| reference | slm:000446957 |
| formula | C65H106O19P3 |
| global charge | -5 |
| mol weight | 1284.466 |
| InChIKey | WHNFQWHVNSGMJC-MJBBRNFISA-I |
| InChI | InChI=1S/C65H111O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-32-33-35-37-39-41-43-45-47-49-51-53-58(66)79-55-57(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)81-59(67)54-52-50-48-46-44-42-40-38-36-34-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,28-29,34,36,57,60-65,68-70H,3-5,7,9-10,15-16,21-22,27,30-33,35,37-56H2,1-2H3,(H,77,78)(H2,71,72,73)(H2,74,75,76)/p-5/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,36-34-/t57-,60-,61-,62-,63-,64+,65-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C65H111O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-32-33-35-37-39-41-43-45-47-49-51-53-58(66)79-55-57(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)81-59(67)54-52-50-48-46-44-42-40-38-36-34-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,28-29,34,36,57,60-65,68-70H,3-5,7,9-10,15-16,21-22,27,30-33,35,37-56H2,1-2H3,(H,77,78)(H2,71,72,73)(H2,74,75,76)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,29-28-,36-34-/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:23]=[CH:25]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30][CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][C:58](=[O:66])[O:79][CH2:55][C@H:57]([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])[O:81][C:59]([CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38]/[CH:36]=[CH:34]\[CH2:31]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:67] |
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