| Properties | Image |
|---|
| MNX_ID | MNXM222826 |
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| reference | slm:000015600 |
| formula | C55H92O13P |
| global charge | -1 |
| mol weight | 992.302 |
| InChIKey | CNSWPAFUVSQGTF-WURGYCDBSA-M |
| InChI | InChI=1S/C55H93O13P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(57)67-47(46-66-69(63,64)68-55-53(61)51(59)50(58)52(60)54(55)62)45-65-48(56)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23-24,28,30,34,36,47,50-55,58-62H,3-4,6,8-10,12,14-16,21-22,25-27,29,31-33,35,37-46H2,1-2H3,(H,63,64)/p-1/b7-5-,13-11-,19-17-,20-18-,24-23-,30-28-,36-34-/t47-,50-,51-,52+,53-,54-,55-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/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/C55H93O13P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(57)67-47(46-66-69(63,64)68-55-53(61)51(59)50(58)52(60)54(55)62)45-65-48(56)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23-24,28,30,34,36,47,50-55,58-62H,3-4,6,8-10,12,14-16,21-22,25-27,29,31-33,35,37-46H2,1-2H3,(H,63,64)/b7-5-,13-11-,19-17-,20-18-,24-23-,30-28-,36-34-/t47-,50-,51-,52+,53-,54-,55-/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]\[CH2:21]/[CH:23]=[CH:24]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32]/[CH:34]=[CH:36]\[CH2:38][CH2:40][CH2:42][CH2:44][C:49](=[O:57])[O:67][C@H:47]([CH2:45][O:65][C:48]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:22]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:56])[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] |
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