| Properties | Image |
|---|
| MNX_ID | MNXM195764 |
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| reference | slm:000439450 |
| formula | C47H79O22P4 |
| global charge | -7 |
| mol weight | 1120.023 |
| InChIKey | ONOVPSUSPCEATN-NULISYTBSA-G |
| InChI | InChI=1S/C47H86O22P4/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)63-37-39(65-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)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/h5,7,11,13-14,16-17,19,39,42-47,50-51H,3-4,6,8-10,12,15,18,20-38H2,1-2H3,(H,61,62)(H2,52,53,54)(H2,55,56,57)(H2,58,59,60)/p-7/b7-5-,13-11-,16-14+,19-17-/t39-,42+,43+,44-,45+,46-,47-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](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)OC(=O)CCCCCCCCC/C=C/CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C47H86O22P4/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)63-37-39(65-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)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/h5,7,11,13-14,16-17,19,39,42-47,50-51H,3-4,6,8-10,12,15,18,20-38H2,1-2H3,(H,61,62)(H2,52,53,54)(H2,55,56,57)(H2,58,59,60)/b7-5-,13-11-,16-14+,19-17-/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][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:40](=[O:48])[O:63][CH2:37][C@H:39]([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])[O:65][C:41]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:21][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:49] |
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