| Properties | Image |
|---|
| MNX_ID | MNXM5078 |
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| reference | biggM:clpn120 |
| formula | C57H108O17P2 |
| global charge | -2 |
| mol weight | 1127.422 |
| InChIKey | LNSKUBQTAKEJOP-UHFFFAOYSA-L |
| InChI | InChI=1S/C57H110O17P2/c1-5-9-13-17-21-25-29-33-37-41-54(59)67-47-52(73-56(61)43-39-35-31-27-23-19-15-11-7-3)49-71-75(63,64)69-45-51(58)46-70-76(65,66)72-50-53(74-57(62)44-40-36-32-28-24-20-16-12-8-4)48-68-55(60)42-38-34-30-26-22-18-14-10-6-2/h51-53,58H,5-50H2,1-4H3,(H,63,64)(H,65,66)/p-2 |
| SMILES | CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(O)COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H110O17P2/c1-5-9-13-17-21-25-29-33-37-41-54(59)67-47-52(73-56(61)43-39-35-31-27-23-19-15-11-7-3)49-71-75(63,64)69-45-51(58)46-70-76(65,66)72-50-53(74-57(62)44-40-36-32-28-24-20-16-12-8-4)48-68-55(60)42-38-34-30-26-22-18-14-10-6-2/h51-53,58H,5-50H2,1-4H3,(H,63,64)(H,65,66)/t51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH:2]([CH2:3][CH2:4][C:5]([CH3:6])(=[CH2:7])[CH2:8][CH2:9][CH:10]([CH2:11][C:12](=[CH2:13])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[CH2:25][CH2:26][C:27](=[CH2:28])[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH2:41][C:42]([CH3:43])(=[CH2:44])[CH2:45][CH2:46][CH:47]([CH2:48][C:49](=[CH2:50])[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][O:58][O:59][O:60][OH:61])[O:62][O:63][O:64](=[O:65])[O:66][O:67][O:68][O:69][O:70][O:71][O:72][O:73][O:74][PH:75][PH2:76] |
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