| Properties | Image |
|---|
| MNX_ID | MNXM228609 |
 |
| reference | slm:000453229 |
| formula | C48H81O16P2 |
| global charge | -3 |
| mol weight | 976.108 |
| InChIKey | HKPSODPKXZANOJ-FCKAYPEZSA-K |
| InChI | InChI=1S/C48H84O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-30-33-36-42(50)62-40(37-60-41(49)35-32-29-26-23-21-18-19-22-25-28-31-34-39(2)3)38-61-66(58,59)64-48-45(53)43(51)44(52)47(46(48)54)63-65(55,56)57/h8-9,11-12,14-15,17,20,27,30,39-40,43-48,51-54H,4-7,10,13,16,18-19,21-26,28-29,31-38H2,1-3H3,(H,58,59)(H2,55,56,57)/p-3/b9-8-,12-11-,15-14-,20-17-,30-27-/t40-,43+,44+,45-,46-,47-,48+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)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/C48H84O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-30-33-36-42(50)62-40(37-60-41(49)35-32-29-26-23-21-18-19-22-25-28-31-34-39(2)3)38-61-66(58,59)64-48-45(53)43(51)44(52)47(46(48)54)63-65(55,56)57/h8-9,11-12,14-15,17,20,27,30,39-40,43-48,51-54H,4-7,10,13,16,18-19,21-26,28-29,31-38H2,1-3H3,(H,58,59)(H2,55,56,57)/b9-8-,12-11-,15-14-,20-17-,30-27-/t40-,43+,44+,45-,46-,47-,48+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:20]\[CH2:24]/[CH:27]=[CH:30]\[CH2:33][CH2:36][C:42](=[O:50])[O:62][C@H:40]([CH2:37][O:60][C:41]([CH2:35][CH2:32][CH2:29][CH2:26][CH2:23][CH2:21][CH2:18][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH:39]([CH3:2])[CH3:3])=[O:49])[CH2:38][O:61][P:66]([OH:58])(=[O:59])[O:64][C@H:48]1[C@H:45]([OH:53])[C@@H:43]([OH:51])[C@H:44]([OH:52])[C@@H:47]([O:63][P:65]([OH:55])([OH:56])=[O:57])[C@H:46]1[OH:54] |
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