| Properties | Image |
|---|
| MNX_ID | MNXM361568 |
 |
| reference | slm:000444231 |
| formula | C48H79O22P4 |
| global charge | -7 |
| mol weight | 1132.034 |
| InChIKey | VWFZTKXROWYCIA-IQEPWBTJSA-G |
| InChI | InChI=1S/C48H86O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-42(50)66-40(38-64-41(49)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2)39-65-74(62,63)70-45-43(51)46(67-71(53,54)55)48(69-73(59,60)61)47(44(45)52)68-72(56,57)58/h5,7,11,13,17,19,21-22,25,27,40,43-48,51-52H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-39H2,1-2H3,(H,62,63)(H2,53,54,55)(H2,56,57,58)(H2,59,60,61)/p-7/b7-5-,13-11-,19-17-,22-21-,27-25-/t40-,43+,44+,45-,46+,47-,48-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)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/C48H86O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-42(50)66-40(38-64-41(49)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2)39-65-74(62,63)70-45-43(51)46(67-71(53,54)55)48(69-73(59,60)61)47(44(45)52)68-72(56,57)58/h5,7,11,13,17,19,21-22,25,27,40,43-48,51-52H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-39H2,1-2H3,(H,62,63)(H2,53,54,55)(H2,56,57,58)(H2,59,60,61)/b7-5-,13-11-,19-17-,22-21-,27-25-/t40-,43+,44+,45-,46+,47-,48-/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:21]=[CH:22]\[CH2:23]/[CH:25]=[CH:27]\[CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:42](=[O:50])[O:66][C@H:40]([CH2:38][O:64][C:41]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:49])[CH2:39][O:65][P:74]([OH:62])(=[O:63])[O:70][C@@H:45]1[C@H:43]([OH:51])[C@H:46]([O:67][P:71]([OH:53])([OH:54])=[O:55])[C@@H:48]([O:69][P:73]([OH:59])([OH:60])=[O:61])[C@H:47]([O:68][P:72]([OH:56])([OH:57])=[O:58])[C@H:44]1[OH:52] |
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