| Properties | Image |
|---|
| MNX_ID | MNXM336528 |
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| reference | slm:000437116 |
| formula | C45H71O16P2 |
| global charge | -3 |
| mol weight | 929.995 |
| InChIKey | USSGPRKKNPVFQQ-SIUJMCBASA-K |
| InChI | InChI=1S/C45H74O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(47)59-37(35-57-38(46)33-31-29-27-25-23-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h5,7,10-13,16-17,19-20,22,24,28,30,37,40-45,48-51H,3-4,6,8-9,14-15,18,21,23,25-27,29,31-36H2,1-2H3,(H,55,56)(H2,52,53,54)/p-3/b7-5-,12-10-,13-11-,17-16-,20-19-,24-22-,30-28-/t37-,40-,41-,42-,43-,44+,45-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C45H74O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(47)59-37(35-57-38(46)33-31-29-27-25-23-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h5,7,10-13,16-17,19-20,22,24,28,30,37,40-45,48-51H,3-4,6,8-9,14-15,18,21,23,25-27,29,31-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b7-5-,12-10-,13-11-,17-16-,20-19-,24-22-,30-28-/t37-,40-,41-,42-,43-,44+,45-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:24]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32][CH2:34][C:39](=[O:47])[O:59][C@H:37]([CH2:35][O:57][C:38]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:46])[CH2:36][O:58][P:63]([OH:55])(=[O:56])[O:61][C@@H:45]1[C@H:42]([OH:50])[C@H:40]([OH:48])[C@@H:41]([OH:49])[C@H:44]([O:60][P:62]([OH:52])([OH:53])=[O:54])[C@H:43]1[OH:51] |
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