| Properties | Image |
|---|
| MNX_ID | MNXM212959 |
 |
| reference | slm:000452745 |
| formula | C56H99O16P2 |
| global charge | -3 |
| mol weight | 1090.34 |
| InChIKey | DKVMAVFQKJEVTL-DUBKZIJKSA-K |
| InChI | InChI=1S/C56H102O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31-35-38-41-44-50(58)70-48(45-68-49(57)43-40-37-34-32-29-30-33-36-39-42-47(2)3)46-69-74(66,67)72-56-53(61)51(59)52(60)55(54(56)62)71-73(63,64)65/h8-9,11-12,14-15,17-18,47-48,51-56,59-62H,4-7,10,13,16,19-46H2,1-3H3,(H,66,67)(H2,63,64,65)/p-3/b9-8-,12-11-,15-14-,18-17-/t48-,51+,52+,53-,54-,55-,56+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)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/C56H102O16P2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31-35-38-41-44-50(58)70-48(45-68-49(57)43-40-37-34-32-29-30-33-36-39-42-47(2)3)46-69-74(66,67)72-56-53(61)51(59)52(60)55(54(56)62)71-73(63,64)65/h8-9,11-12,14-15,17-18,47-48,51-56,59-62H,4-7,10,13,16,19-46H2,1-3H3,(H,66,67)(H2,63,64,65)/b9-8-,12-11-,15-14-,18-17-/t48-,51+,52+,53-,54-,55-,56+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:31][CH2:35][CH2:38][CH2:41][CH2:44][C:50](=[O:58])[O:70][C@H:48]([CH2:45][O:68][C:49]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:32][CH2:29][CH2:30][CH2:33][CH2:36][CH2:39][CH2:42][CH:47]([CH3:2])[CH3:3])=[O:57])[CH2:46][O:69][P:74]([OH:66])(=[O:67])[O:72][C@H:56]1[C@H:53]([OH:61])[C@@H:51]([OH:59])[C@H:52]([OH:60])[C@@H:55]([O:71][P:73]([OH:63])([OH:64])=[O:65])[C@H:54]1[OH:62] |
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