| Properties | Image |
|---|
| MNX_ID | MNXM192359 |
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| reference | slm:000439195 |
| formula | C48H87O22P4 |
| global charge | -7 |
| mol weight | 1140.098 |
| InChIKey | IZBFDILJYYSVIM-YLTDVAAQSA-G |
| InChI | InChI=1S/C48H94O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-42(50)66-40(38-64-41(49)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2)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/h14,16,40,43-48,51-52H,3-13,15,17-39H2,1-2H3,(H,62,63)(H2,53,54,55)(H2,56,57,58)(H2,59,60,61)/p-7/b16-14+/t40-,43+,44+,45-,46+,47-,48-/m1/s1 |
| SMILES | CCCCCC/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)CCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C48H94O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-42(50)66-40(38-64-41(49)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2)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/h14,16,40,43-48,51-52H,3-13,15,17-39H2,1-2H3,(H,62,63)(H2,53,54,55)(H2,56,57,58)(H2,59,60,61)/b16-14+/t40-,43+,44+,45-,46+,47-,48-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][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][CH2:22][CH2:18]/[CH:16]=[CH: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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