| Properties | Image |
|---|
| MNX_ID | MNXM181564 |
 |
| reference | slm:000014355 |
| formula | C55H94O13P |
| global charge | -1 |
| mol weight | 994.318 |
| InChIKey | OMJJJORVYUARGW-TWKSYZJOSA-M |
| InChI | InChI=1S/C55H95O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-48(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)44-42-40-38-36-34-32-29-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24-25,27-29,47,50-55,58-62H,3-10,12,14-16,20,23,26,30-46H2,1-2H3,(H,63,64)/p-1/b13-11-,19-17-,22-21-,25-24-,28-27-,29-18-/t47-,50-,51-,52+,53-,54-,55-/m1/s1 |
| SMILES | CCCCC/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](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H95O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-48(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)44-42-40-38-36-34-32-29-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24-25,27-29,47,50-55,58-62H,3-10,12,14-16,20,23,26,30-46H2,1-2H3,(H,63,64)/b13-11-,19-17-,22-21-,25-24-,28-27-,29-18-/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]/[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]\[CH2:30][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]/[CH:29]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:57] |
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