| Properties | Image |
|---|
| MNX_ID | MNXM322189 |
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| reference | slm:000443169 |
| formula | C45H77O22P4 |
| global charge | -7 |
| mol weight | 1093.985 |
| InChIKey | MDAVQTZVHVZTCO-PTJFKOMZSA-G |
| InChI | InChI=1S/C45H84O22P4/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)63-37(35-61-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-62-71(59,60)67-42-40(48)43(64-68(50,51)52)45(66-70(56,57)58)44(41(42)49)65-69(53,54)55/h8,10,14,16-18,37,40-45,48-49H,3-7,9,11-13,15,19-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/p-7/b10-8-,16-14-,18-17-/t37-,40+,41+,42-,43+,44-,45-/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=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\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H84O22P4/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)63-37(35-61-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-62-71(59,60)67-42-40(48)43(64-68(50,51)52)45(66-70(56,57)58)44(41(42)49)65-69(53,54)55/h8,10,14,16-18,37,40-45,48-49H,3-7,9,11-13,15,19-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/b10-8-,16-14-,18-17-/t37-,40+,41+,42-,43+,44-,45-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:39](=[O:47])[O:63][C@H:37]([CH2:35][O:61][C:38]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH2:4][CH3:2])=[O:46])[CH2:36][O:62][P:71]([OH:59])(=[O:60])[O:67][C@@H:42]1[C@H:40]([OH:48])[C@H:43]([O:64][P:68]([OH:50])([OH:51])=[O:52])[C@@H:45]([O:66][P:70]([OH:56])([OH:57])=[O:58])[C@H:44]([O:65][P:69]([OH:53])([OH:54])=[O:55])[C@H:41]1[OH:49] |
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