| Properties | Image |
|---|
| MNX_ID | MNXM228542 |
 |
| reference | slm:000440428 |
| formula | C48H77O22P4 |
| global charge | -7 |
| mol weight | 1130.018 |
| InChIKey | ANBVHSNVMZWEFK-XQEHSDDNSA-G |
| InChI | InChI=1S/C48H84O22P4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-30-33-36-42(50)66-40(37-64-41(49)35-32-29-26-23-21-18-19-22-25-28-31-34-39(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/h5-6,8-9,11-12,14-15,17,20,27,30,39-40,43-48,51-52H,4,7,10,13,16,18-19,21-26,28-29,31-38H2,1-3H3,(H,62,63)(H2,53,54,55)(H2,56,57,58)(H2,59,60,61)/p-7/b6-5-,9-8-,12-11-,15-14-,20-17-,30-27-/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\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](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C48H84O22P4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-30-33-36-42(50)66-40(37-64-41(49)35-32-29-26-23-21-18-19-22-25-28-31-34-39(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/h5-6,8-9,11-12,14-15,17,20,27,30,39-40,43-48,51-52H,4,7,10,13,16,18-19,21-26,28-29,31-38H2,1-3H3,(H,62,63)(H2,53,54,55)(H2,56,57,58)(H2,59,60,61)/b6-5-,9-8-,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]/[CH:5]=[CH: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:66][C@H:40]([CH2:37][O:64][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: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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