| Properties | Image |
|---|
| MNX_ID | MNXM217132 |
 |
| reference | slm:000427299 |
| formula | C65H106O19P3 |
| global charge | -5 |
| mol weight | 1284.466 |
| InChIKey | IRIUKEHZSVKMQY-ABRDTKBDSA-I |
| InChI | InChI=1S/C65H111O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-58(66)79-55-57(56-80-87(77,78)84-63-60(68)61(69)64(82-85(71,72)73)65(62(63)70)83-86(74,75)76)81-59(67)54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,57,60-65,68-70H,3-5,7,9-10,15-16,21-22,27-28,33-56H2,1-2H3,(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-,31-29-,32-30-/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\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)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/C65H111O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-58(66)79-55-57(56-80-87(77,78)84-63-60(68)61(69)64(82-85(71,72)73)65(62(63)70)83-86(74,75)76)81-59(67)54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-32,57,60-65,68-70H,3-5,7,9-10,15-16,21-22,27-28,33-56H2,1-2H3,(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-,31-29-,32-30-/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:29]=[CH:31]\[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:63]1[C@H:60]([OH:68])[C@@H:61]([OH:69])[C@H:64]([O:82][P:85]([OH:71])([OH:72])=[O:73])[C@@H:65]([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][CH2:36][CH2:34]/[CH:32]=[CH:30]\[CH2:28]/[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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