| Properties | Image |
|---|
| MNX_ID | MNXM276823 |
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| reference | slm:000448439 |
| formula | C50H84O19P3 |
| global charge | -5 |
| mol weight | 1082.125 |
| InChIKey | CQWCDYHQQACDIC-KUNWVTHNSA-I |
| InChI | InChI=1S/C50H89O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-28-30-32-34-36-38-43(51)64-40-42(66-44(52)39-37-35-33-31-29-26-18-16-14-12-10-8-6-4-2)41-65-72(62,63)69-50-46(54)48(67-70(56,57)58)45(53)49(47(50)55)68-71(59,60)61/h11,13,17,19,21-22,24-25,28,30,42,45-50,53-55H,3-10,12,14-16,18,20,23,26-27,29,31-41H2,1-2H3,(H,62,63)(H2,56,57,58)(H2,59,60,61)/p-5/b13-11-,19-17-,22-21-,25-24-,30-28-/t42-,45-,46-,47-,48-,49+,50-/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](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C50H89O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-28-30-32-34-36-38-43(51)64-40-42(66-44(52)39-37-35-33-31-29-26-18-16-14-12-10-8-6-4-2)41-65-72(62,63)69-50-46(54)48(67-70(56,57)58)45(53)49(47(50)55)68-71(59,60)61/h11,13,17,19,21-22,24-25,28,30,42,45-50,53-55H,3-10,12,14-16,18,20,23,26-27,29,31-41H2,1-2H3,(H,62,63)(H2,56,57,58)(H2,59,60,61)/b13-11-,19-17-,22-21-,25-24-,30-28-/t42-,45-,46-,47-,48-,49+,50-/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]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:27]/[CH:28]=[CH:30]\[CH2:32][CH2:34][CH2:36][CH2:38][C:43](=[O:51])[O:64][CH2:40][C@H:42]([CH2:41][O:65][P:72]([OH:62])(=[O:63])[O:69][C@@H:50]1[C@H:46]([OH:54])[C@H:48]([O:67][P:70]([OH:56])([OH:57])=[O:58])[C@@H:45]([OH:53])[C@H:49]([O:68][P:71]([OH:59])([OH:60])=[O:61])[C@H:47]1[OH:55])[O:66][C:44]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:26][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:52] |
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