| Properties | Image |
|---|
| MNX_ID | MNXM180772 |
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| reference | slm:000458172 |
| formula | C55H93O16P2 |
| global charge | -3 |
| mol weight | 1072.281 |
| InChIKey | PNEVQKASIUUPPG-LUTVACOGSA-K |
| InChI | InChI=1S/C55H96O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-48(56)67-45-47(69-49(57)44-42-40-38-36-34-32-29-18-16-14-12-10-8-6-4-2)46-68-73(65,66)71-55-52(60)50(58)54(51(59)53(55)61)70-72(62,63)64/h11,13-14,16-17,19,21-22,24-25,27-28,47,50-55,58-61H,3-10,12,15,18,20,23,26,29-46H2,1-2H3,(H,65,66)(H2,62,63,64)/p-3/b13-11-,16-14+,19-17-,22-21-,25-24-,28-27-/t47-,50-,51+,52-,53-,54+,55+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCC/C=C/CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H96O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-48(56)67-45-47(69-49(57)44-42-40-38-36-34-32-29-18-16-14-12-10-8-6-4-2)46-68-73(65,66)71-55-52(60)50(58)54(51(59)53(55)61)70-72(62,63)64/h11,13-14,16-17,19,21-22,24-25,27-28,47,50-55,58-61H,3-10,12,15,18,20,23,26,29-46H2,1-2H3,(H,65,66)(H2,62,63,64)/b13-11-,16-14+,19-17-,22-21-,25-24-,28-27-/t47-,50-,51+,52-,53-,54+,55+/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]\[CH2:26]/[CH:27]=[CH:28]\[CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:48](=[O:56])[O:67][CH2:45][C@H:47]([CH2:46][O:68][P:73]([OH:65])(=[O:66])[O:71][C@H:55]1[C@H:52]([OH:60])[C@@H:50]([OH:58])[C@H:54]([O:70][P:72]([OH:62])([OH:63])=[O:64])[C@@H:51]([OH:59])[C@H:53]1[OH:61])[O:69][C:49]([CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:29][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:57] |
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