| Properties | Image |
|---|
| MNX_ID | MNXM181579 |
 |
| reference | slm:000439030 |
| formula | C51H83O22P4 |
| global charge | -7 |
| mol weight | 1172.099 |
| InChIKey | TYGBWWCKWLSKSY-VHZVJZPHSA-G |
| InChI | InChI=1S/C51H90O22P4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-44(52)67-41-43(69-45(53)40-38-36-34-32-29-14-12-10-8-6-4-2)42-68-77(65,66)73-48-46(54)49(70-74(56,57)58)51(72-76(62,63)64)50(47(48)55)71-75(59,60)61/h10-13,16-17,19-20,22-23,25-26,43,46-51,54-55H,3-9,14-15,18,21,24,27-42H2,1-2H3,(H,65,66)(H2,56,57,58)(H2,59,60,61)(H2,62,63,64)/p-7/b12-10-,13-11-,17-16-,20-19-,23-22-,26-25-/t43-,46+,47+,48-,49+,50-,51-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C51H90O22P4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-44(52)67-41-43(69-45(53)40-38-36-34-32-29-14-12-10-8-6-4-2)42-68-77(65,66)73-48-46(54)49(70-74(56,57)58)51(72-76(62,63)64)50(47(48)55)71-75(59,60)61/h10-13,16-17,19-20,22-23,25-26,43,46-51,54-55H,3-9,14-15,18,21,24,27-42H2,1-2H3,(H,65,66)(H2,56,57,58)(H2,59,60,61)(H2,62,63,64)/b12-10-,13-11-,17-16-,20-19-,23-22-,26-25-/t43-,46+,47+,48-,49+,50-,51-/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:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27][CH2:28][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:44](=[O:52])[O:67][CH2:41][C@H:43]([CH2:42][O:68][P:77]([OH:65])(=[O:66])[O:73][C@@H:48]1[C@H:46]([OH:54])[C@H:49]([O:70][P:74]([OH:56])([OH:57])=[O:58])[C@@H:51]([O:72][P:76]([OH:62])([OH:63])=[O:64])[C@H:50]([O:71][P:75]([OH:59])([OH:60])=[O:61])[C@H:47]1[OH:55])[O:69][C:45]([CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:29][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:53] |
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