| Properties | Image |
|---|
| MNX_ID | MNXM215078 |
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| reference | slm:000465582 |
| formula | C50H94O19P3 |
| global charge | -5 |
| mol weight | 1092.205 |
| InChIKey | WKDKWFXTEWUJJP-BAMCEDMOSA-I |
| InChI | InChI=1S/C50H99O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-29-32-35-38-44(52)66-42(39-64-43(51)37-34-31-28-26-23-24-27-30-33-36-41(2)3)40-65-72(62,63)69-48-45(53)46(54)49(67-70(56,57)58)50(47(48)55)68-71(59,60)61/h41-42,45-50,53-55H,4-40H2,1-3H3,(H,62,63)(H2,56,57,58)(H2,59,60,61)/p-5/t42-,45-,46+,47+,48-,49-,50-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C50H99O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-29-32-35-38-44(52)66-42(39-64-43(51)37-34-31-28-26-23-24-27-30-33-36-41(2)3)40-65-72(62,63)69-48-45(53)46(54)49(67-70(56,57)58)50(47(48)55)68-71(59,60)61/h41-42,45-50,53-55H,4-40H2,1-3H3,(H,62,63)(H2,56,57,58)(H2,59,60,61)/t42-,45-,46+,47+,48-,49-,50-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:25][CH2:29][CH2:32][CH2:35][CH2:38][C:44](=[O:52])[O:66][C@H:42]([CH2:39][O:64][C:43]([CH2:37][CH2:34][CH2:31][CH2:28][CH2:26][CH2:23][CH2:24][CH2:27][CH2:30][CH2:33][CH2:36][CH:41]([CH3:2])[CH3:3])=[O:51])[CH2:40][O:65][P:72]([OH:62])(=[O:63])[O:69][C@@H:48]1[C@H:45]([OH:53])[C@H:46]([OH:54])[C@@H:49]([O:67][P:70]([OH:56])([OH:57])=[O:58])[C@H:50]([O:68][P:71]([OH:59])([OH:60])=[O:61])[C@H:47]1[OH:55] |
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