| Properties | Image |
|---|
| MNX_ID | MNXM357113 |
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| reference | slm:000456929 |
| formula | C54H101O16P2 |
| global charge | -3 |
| mol weight | 1068.334 |
| InChIKey | DWFXJVDPUYPSKP-RWCKBVQKSA-K |
| InChI | InChI=1S/C54H104O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-27-29-31-33-35-37-39-41-43-48(56)68-46(45-67-72(64,65)70-54-51(59)49(57)50(58)53(52(54)60)69-71(61,62)63)44-66-47(55)42-40-38-36-34-32-30-28-26-22-20-18-16-14-12-10-8-6-4-2/h17,19,46,49-54,57-60H,3-16,18,20-45H2,1-2H3,(H,64,65)(H2,61,62,63)/p-3/b19-17-/t46-,49+,50+,51-,52-,53-,54+/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C54H104O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-27-29-31-33-35-37-39-41-43-48(56)68-46(45-67-72(64,65)70-54-51(59)49(57)50(58)53(52(54)60)69-71(61,62)63)44-66-47(55)42-40-38-36-34-32-30-28-26-22-20-18-16-14-12-10-8-6-4-2/h17,19,46,49-54,57-60H,3-16,18,20-45H2,1-2H3,(H,64,65)(H2,61,62,63)/b19-17-/t46-,49+,50+,51-,52-,53-,54+/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]\[CH2:21][CH2:23][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:48](=[O:56])[O:68][C@H:46]([CH2:44][O:66][C:47]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:55])[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:50]([OH:58])[C@@H:53]([O:69][P:71]([OH:61])([OH:62])=[O:63])[C@H:52]1[OH:60] |
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