| Properties | Image |
|---|
| MNX_ID | MNXM326759 |
 |
| reference | slm:000443275 |
| formula | C47H73O22P4 |
| global charge | -7 |
| mol weight | 1113.975 |
| InChIKey | LLBXKRQWEDTECY-KDXWTRBESA-G |
| InChI | InChI=1S/C47H80O22P4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)65-39(37-63-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-64-73(61,62)69-44-42(50)45(66-70(52,53)54)47(68-72(58,59)60)46(43(44)51)67-71(55,56)57/h5,7,11-14,17-19,21-22,24,28,30,39,42-47,50-51H,3-4,6,8-10,15-16,20,23,25-27,29,31-38H2,1-2H3,(H,61,62)(H2,52,53,54)(H2,55,56,57)(H2,58,59,60)/p-7/b7-5-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t39-,42+,43+,44-,45+,46-,47-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCC/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/C47H80O22P4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)65-39(37-63-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-64-73(61,62)69-44-42(50)45(66-70(52,53)54)47(68-72(58,59)60)46(43(44)51)67-71(55,56)57/h5,7,11-14,17-19,21-22,24,28,30,39,42-47,50-51H,3-4,6,8-10,15-16,20,23,25-27,29,31-38H2,1-2H3,(H,61,62)(H2,52,53,54)(H2,55,56,57)(H2,58,59,60)/b7-5-,13-11-,14-12-,19-17-,21-18-,24-22-,30-28-/t39-,42+,43+,44-,45+,46-,47-/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:17]=[CH:19]\[CH2:20]/[CH:22]=[CH:24]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32][CH2:34][CH2:36][C:41](=[O:49])[O:65][C@H:39]([CH2:37][O:63][C:40]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23]/[CH:21]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:48])[CH2:38][O:64][P:73]([OH:61])(=[O:62])[O:69][C@@H:44]1[C@H:42]([OH:50])[C@H:45]([O:66][P:70]([OH:52])([OH:53])=[O:54])[C@@H:47]([O:68][P:72]([OH:58])([OH:59])=[O:60])[C@H:46]([O:67][P:71]([OH:55])([OH:56])=[O:57])[C@H:43]1[OH:51] |
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