| Properties | Image |
|---|
| MNX_ID | MNXM276694 |
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| reference | slm:000454838 |
| formula | C53H91O16P2 |
| global charge | -3 |
| mol weight | 1046.243 |
| InChIKey | MREBXVLAMBEKGW-GDGZSFAJSA-K |
| InChI | InChI=1S/C53H94O16P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(54)65-43-45(44-66-71(63,64)69-53-50(58)48(56)49(57)52(51(53)59)68-70(60,61)62)67-47(55)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,26-27,31,33,45,48-53,56-59H,3-10,12,14-16,18,20-21,24-25,28-30,32,34-44H2,1-2H3,(H,63,64)(H2,60,61,62)/p-3/b13-11-,19-17-,23-22-,27-26-,33-31-/t45-,48+,49+,50-,51-,52-,53+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](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)OC(=O)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H94O16P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(54)65-43-45(44-66-71(63,64)69-53-50(58)48(56)49(57)52(51(53)59)68-70(60,61)62)67-47(55)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,26-27,31,33,45,48-53,56-59H,3-10,12,14-16,18,20-21,24-25,28-30,32,34-44H2,1-2H3,(H,63,64)(H2,60,61,62)/b13-11-,19-17-,23-22-,27-26-,33-31-/t45-,48+,49+,50-,51-,52-,53+/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:17]=[CH:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:26]=[CH:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:35][CH2:37][CH2:39][CH2:41][C:46](=[O:54])[O:65][CH2:43][C@H:45]([CH2:44][O:66][P:71]([OH:63])(=[O:64])[O:69][C@H:53]1[C@H:50]([OH:58])[C@@H:48]([OH:56])[C@H:49]([OH:57])[C@@H:52]([O:68][P:70]([OH:60])([OH:61])=[O:62])[C@H:51]1[OH:59])[O:67][C:47]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:25][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:55] |
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