| Properties | Image |
|---|
| MNX_ID | MNXM233549 |
 |
| reference | slm:000015960 |
| formula | C55H98O13P |
| global charge | -1 |
| mol weight | 998.35 |
| InChIKey | PLIHNRHRWHXMOM-YPIDPNGKSA-M |
| InChI | InChI=1S/C55H99O13P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(56)65-45-47(46-66-69(63,64)68-55-53(61)51(59)50(58)52(60)54(55)62)67-49(57)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,28,47,50-55,58-62H,3-11,13,15-16,21-24,26-27,29-46H2,1-2H3,(H,63,64)/p-1/b14-12-,19-17-,20-18-,28-25-/t47-,50-,51-,52+,53-,54-,55-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C55H99O13P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(56)65-45-47(46-66-69(63,64)68-55-53(61)51(59)50(58)52(60)54(55)62)67-49(57)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,28,47,50-55,58-62H,3-11,13,15-16,21-24,26-27,29-46H2,1-2H3,(H,63,64)/b14-12-,19-17-,20-18-,28-25-/t47-,50-,51-,52+,53-,54-,55-/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][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:48](=[O:56])[O:65][CH2:45][C@H:47]([CH2:46][O:66][P:69]([OH:63])(=[O:64])[O:68][C@@H:55]1[C@H:53]([OH:61])[C@H:51]([OH:59])[C@@H:50]([OH:58])[C@H:52]([OH:60])[C@H:54]1[OH:62])[O:67][C:49]([CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30]/[CH:28]=[CH:25]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:57] |
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