| Properties | Image |
|---|
| MNX_ID | MNXM217969 |
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| reference | slm:000472143 |
| formula | C62H113O13P2 |
| global charge | -3 |
| mol weight | 1128.521 |
| InChIKey | LVDALKTVZWJLMY-DNAYURCPSA-K |
| InChI | InChI=1S/C62H116O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-61(64)71-57-60(58-74-77(69,70)73-56-59(63)55-72-76(66,67)68)75-62(65)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/h11,13,17,19,23,25,29,31,59-60,63H,3-10,12,14-16,18,20-22,24,26-28,30,32-58H2,1-2H3,(H,69,70)(H2,66,67,68)/p-3/b13-11-,19-17-,25-23-,31-29-/t59-,60+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C62H116O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-61(64)71-57-60(58-74-77(69,70)73-56-59(63)55-72-76(66,67)68)75-62(65)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/h11,13,17,19,23,25,29,31,59-60,63H,3-10,12,14-16,18,20-22,24,26-28,30,32-58H2,1-2H3,(H,69,70)(H2,66,67,68)/b13-11-,19-17-,25-23-,31-29-/t59-,60+/m0/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:61](=[O:64])[O:71][CH2:57][C@H:60]([CH2:58][O:74][P:77]([OH:69])(=[O:70])[O:73][CH2:56][C@H:59]([CH2:55][O:72][P:76]([OH:66])([OH:67])=[O:68])[OH:63])[O:75][C:62]([CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:65] |
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