| Properties | Image |
|---|
| MNX_ID | MNXM180528 |
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| reference | slm:000458156 |
| formula | C54H91O16P2 |
| global charge | -3 |
| mol weight | 1058.254 |
| InChIKey | GJELFADBYSOGDV-HEXKVUCQSA-K |
| InChI | InChI=1S/C54H94O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-31-32-34-36-38-40-42-47(55)66-44-46(68-48(56)43-41-39-37-35-33-30-18-16-14-12-10-8-6-4-2)45-67-72(64,65)70-54-51(59)49(57)53(50(58)52(54)60)69-71(61,62)63/h5,7,11,13,17,19,21-22,24-25,27-28,46,49-54,57-60H,3-4,6,8-10,12,14-16,18,20,23,26,29-45H2,1-2H3,(H,64,65)(H2,61,62,63)/p-3/b7-5-,13-11-,19-17-,22-21-,25-24-,28-27-/t46-,49-,50+,51-,52-,53+,54+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-31-32-34-36-38-40-42-47(55)66-44-46(68-48(56)43-41-39-37-35-33-30-18-16-14-12-10-8-6-4-2)45-67-72(64,65)70-54-51(59)49(57)53(50(58)52(54)60)69-71(61,62)63/h5,7,11,13,17,19,21-22,24-25,27-28,46,49-54,57-60H,3-4,6,8-10,12,14-16,18,20,23,26,29-45H2,1-2H3,(H,64,65)(H2,61,62,63)/b7-5-,13-11-,19-17-,22-21-,25-24-,28-27-/t46-,49-,50+,51-,52-,53+,54+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:47](=[O:55])[O:66][CH2:44][C@H:46]([CH2:45][O:67][P:72]([OH:64])(=[O:65])[O:70][C@H:54]1[C@H:51]([OH:59])[C@@H:49]([OH:57])[C@H:53]([O:69][P:71]([OH:61])([OH:62])=[O:63])[C@@H:50]([OH:58])[C@H:52]1[OH:60])[O:68][C:48]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:30][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:56] |
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