| Properties | Image |
|---|
| MNX_ID | MNXM235862 |
 |
| reference | slm:000440688 |
| formula | C51H91O22P4 |
| global charge | -7 |
| mol weight | 1180.163 |
| InChIKey | MYYXKSMRCWAFTM-GVKISYKGSA-G |
| InChI | InChI=1S/C51H98O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(52)67-41-43(69-45(53)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2)42-68-77(65,66)73-48-46(54)49(70-74(56,57)58)51(72-76(62,63)64)50(47(48)55)71-75(59,60)61/h17-19,25,43,46-51,54-55H,3-16,20-24,26-42H2,1-2H3,(H,65,66)(H2,56,57,58)(H2,59,60,61)(H2,62,63,64)/p-7/b19-17-,25-18-/t43-,46+,47+,48-,49+,50-,51-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=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\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C51H98O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(52)67-41-43(69-45(53)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2)42-68-77(65,66)73-48-46(54)49(70-74(56,57)58)51(72-76(62,63)64)50(47(48)55)71-75(59,60)61/h17-19,25,43,46-51,54-55H,3-16,20-24,26-42H2,1-2H3,(H,65,66)(H2,56,57,58)(H2,59,60,61)(H2,62,63,64)/b19-17-,25-18-/t43-,46+,47+,48-,49+,50-,51-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:44](=[O:52])[O:67][CH2:41][C@H:43]([CH2:42][O:68][P:77]([OH:65])(=[O:66])[O:73][C@@H:48]1[C@H:46]([OH:54])[C@H:49]([O:70][P:74]([OH:56])([OH:57])=[O:58])[C@@H:51]([O:72][P:76]([OH:62])([OH:63])=[O:64])[C@H:50]([O:71][P:75]([OH:59])([OH:60])=[O:61])[C@H:47]1[OH:55])[O:69][C:45]([CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28]/[CH:25]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:53] |
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