| Properties | Image |
|---|
| MNX_ID | MNXM315394 |
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| reference | slm:000443015 |
| formula | C48H81O22P4 |
| global charge | -7 |
| mol weight | 1134.05 |
| InChIKey | LGFIAKJKMGXHKZ-ORVVVGRHSA-G |
| InChI | InChI=1S/C48H88O22P4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-29-32-35-41(49)64-37-40(66-42(50)36-33-30-27-24-21-22-25-28-31-34-39(2)3)38-65-74(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/h8-9,11-12,14-15,17-18,39-40,43-48,51-52H,4-7,10,13,16,19-38H2,1-3H3,(H,62,63)(H2,53,54,55)(H2,56,57,58)(H2,59,60,61)/p-7/b9-8-,12-11-,15-14-,18-17-/t40-,43+,44+,45-,46+,47-,48-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/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)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C48H88O22P4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-29-32-35-41(49)64-37-40(66-42(50)36-33-30-27-24-21-22-25-28-31-34-39(2)3)38-65-74(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/h8-9,11-12,14-15,17-18,39-40,43-48,51-52H,4-7,10,13,16,19-38H2,1-3H3,(H,62,63)(H2,53,54,55)(H2,56,57,58)(H2,59,60,61)/b9-8-,12-11-,15-14-,18-17-/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:18]\[CH2:19][CH2:20][CH2:23][CH2:26][CH2:29][CH2:32][CH2:35][C:41](=[O:49])[O:64][CH2:37][C@H:40]([CH2:38][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])[O:66][C:42]([CH2:36][CH2:33][CH2:30][CH2:27][CH2:24][CH2:21][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH:39]([CH3:2])[CH3:3])=[O:50] |
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