| Properties | Image |
|---|
| MNX_ID | MNXM336456 |
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| reference | slm:000437114 |
| formula | C61H105O16P2 |
| global charge | -3 |
| mol weight | 1156.443 |
| InChIKey | ONHBMQDUQWXNKL-IDUQNCGQSA-K |
| InChI | InChI=1S/C61H108O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-55(63)75-53(51-73-54(62)49-47-45-43-41-39-14-12-10-8-6-4-2)52-74-79(71,72)77-61-58(66)56(64)57(65)60(59(61)67)76-78(68,69)70/h5,7,10-13,16-17,19-20,22-23,53,56-61,64-67H,3-4,6,8-9,14-15,18,21,24-52H2,1-2H3,(H,71,72)(H2,68,69,70)/p-3/b7-5-,12-10-,13-11-,17-16-,20-19-,23-22-/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\CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)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/C61H108O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-55(63)75-53(51-73-54(62)49-47-45-43-41-39-14-12-10-8-6-4-2)52-74-79(71,72)77-61-58(66)56(64)57(65)60(59(61)67)76-78(68,69)70/h5,7,10-13,16-17,19-20,22-23,53,56-61,64-67H,3-4,6,8-9,14-15,18,21,24-52H2,1-2H3,(H,71,72)(H2,68,69,70)/b7-5-,12-10-,13-11-,17-16-,20-19-,23-22-/t53-,56-,57-,58-,59-,60+,61-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][C:55](=[O:63])[O:75][C@H:53]([CH2:51][O:73][C:54]([CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:62])[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] |
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