| Properties | Image |
|---|
| MNX_ID | MNXM356631 |
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| reference | slm:000450516 |
| formula | C50H92O19P3 |
| global charge | -5 |
| mol weight | 1090.189 |
| InChIKey | RHPZTAVTFDJLBO-AXRGLLBHSA-I |
| InChI | InChI=1S/C50H97O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-43(51)64-40-42(66-44(52)39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2)41-65-72(62,63)69-50-46(54)48(67-70(56,57)58)45(53)49(47(50)55)68-71(59,60)61/h18,20,42,45-50,53-55H,3-17,19,21-41H2,1-2H3,(H,62,63)(H2,56,57,58)(H2,59,60,61)/p-5/b20-18-/t42-,45-,46-,47-,48-,49+,50-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCC(=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](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C50H97O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-43(51)64-40-42(66-44(52)39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2)41-65-72(62,63)69-50-46(54)48(67-70(56,57)58)45(53)49(47(50)55)68-71(59,60)61/h18,20,42,45-50,53-55H,3-17,19,21-41H2,1-2H3,(H,62,63)(H2,56,57,58)(H2,59,60,61)/b20-18-/t42-,45-,46-,47-,48-,49+,50-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:43](=[O:51])[O:64][CH2:40][C@H:42]([CH2:41][O:65][P:72]([OH:62])(=[O:63])[O:69][C@@H:50]1[C@H:46]([OH:54])[C@H:48]([O:67][P:70]([OH:56])([OH:57])=[O:58])[C@@H:45]([OH:53])[C@H:49]([O:68][P:71]([OH:59])([OH:60])=[O:61])[C@H:47]1[OH:55])[O:66][C:44]([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:52] |
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