| Properties | Image |
|---|
| MNX_ID | MNXM220004 |
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| reference | slm:000440207 |
| formula | C49H83O22P4 |
| global charge | -7 |
| mol weight | 1148.077 |
| InChIKey | AGCPINOFPFWVLJ-HWEYEALQSA-G |
| InChI | InChI=1S/C49H90O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)65-39-41(67-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2)40-66-75(63,64)71-46-44(52)47(68-72(54,55)56)49(70-74(60,61)62)48(45(46)53)69-73(57,58)59/h11,13-14,16-19,23,41,44-49,52-53H,3-10,12,15,20-22,24-40H2,1-2H3,(H,63,64)(H2,54,55,56)(H2,57,58,59)(H2,60,61,62)/p-7/b13-11-,16-14+,19-17-,23-18-/t41-,44+,45+,46-,47+,48-,49-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=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)CCCCCCC/C=C\C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H90O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)65-39-41(67-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2)40-66-75(63,64)71-46-44(52)47(68-72(54,55)56)49(70-74(60,61)62)48(45(46)53)69-73(57,58)59/h11,13-14,16-19,23,41,44-49,52-53H,3-10,12,15,20-22,24-40H2,1-2H3,(H,63,64)(H2,54,55,56)(H2,57,58,59)(H2,60,61,62)/b13-11-,16-14+,19-17-,23-18-/t41-,44+,45+,46-,47+,48-,49-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:42](=[O:50])[O:65][CH2:39][C@H:41]([CH2:40][O:66][P:75]([OH:63])(=[O:64])[O:71][C@@H:46]1[C@H:44]([OH:52])[C@H:47]([O:68][P:72]([OH:54])([OH:55])=[O:56])[C@@H:49]([O:70][P:74]([OH:60])([OH:61])=[O:62])[C@H:48]([O:69][P:73]([OH:57])([OH:58])=[O:59])[C@H:45]1[OH:53])[O:67][C:43]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26]/[CH:23]=[CH:18]\[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:51] |
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