| Properties | Image |
|---|
| MNX_ID | MNXM363474 |
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| reference | slm:000437874 |
| formula | C61H107O16P2 |
| global charge | -3 |
| mol weight | 1158.459 |
| InChIKey | URXJUTGJTFGNSC-YLDZJOAWSA-K |
| InChI | InChI=1S/C61H110O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-54(62)73-51-53(52-74-79(71,72)77-61-58(66)56(64)57(65)60(59(61)67)76-78(68,69)70)75-55(63)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/h6,8,12,14,18,20,24,26,30,32,53,56-61,64-67H,3-5,7,9-11,13,15-17,19,21-23,25,27-29,31,33-52H2,1-2H3,(H,71,72)(H2,68,69,70)/p-3/b8-6-,14-12-,20-18-,26-24-,32-30-/t53-,56-,57-,58-,59-,60+,61-/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)CCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C61H110O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-54(62)73-51-53(52-74-79(71,72)77-61-58(66)56(64)57(65)60(59(61)67)76-78(68,69)70)75-55(63)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/h6,8,12,14,18,20,24,26,30,32,53,56-61,64-67H,3-5,7,9-11,13,15-17,19,21-23,25,27-29,31,33-52H2,1-2H3,(H,71,72)(H2,68,69,70)/b8-6-,14-12-,20-18-,26-24-,32-30-/t53-,56-,57-,58-,59-,60+,61-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:54](=[O:62])[O:73][CH2:51][C@H:53]([CH2:52][O:74][P:79]([OH:71])(=[O:72])[O:77][C@@H:61]1[C@H:58]([OH:66])[C@H:56]([OH:64])[C@@H:57]([OH:65])[C@H:60]([O:76][P:78]([OH:68])([OH:69])=[O:70])[C@H:59]1[OH:67])[O:75][C:55]([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:63] |
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