| Properties | Image |
|---|
| MNX_ID | MNXM194299 |
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| reference | slm:000014691 |
| formula | C49H84O13P |
| global charge | -1 |
| mol weight | 912.172 |
| InChIKey | NGYQKXTWCRCSRM-MOTDWEAYSA-M |
| InChI | InChI=1S/C49H85O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-29-31-33-35-37-42(50)59-39-41(61-43(51)38-36-34-32-30-27-14-12-10-8-6-4-2)40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56/h5,7,11,13,16-17,19-20,22-23,41,44-49,52-56H,3-4,6,8-10,12,14-15,18,21,24-40H2,1-2H3,(H,57,58)/p-1/b7-5-,13-11-,17-16-,20-19-,23-22-/t41-,44-,45-,46+,47-,48-,49-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=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)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H85O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-29-31-33-35-37-42(50)59-39-41(61-43(51)38-36-34-32-30-27-14-12-10-8-6-4-2)40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56/h5,7,11,13,16-17,19-20,22-23,41,44-49,52-56H,3-4,6,8-10,12,14-15,18,21,24-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,17-16-,20-19-,23-22-/t41-,44-,45-,46+,47-,48-,49-/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:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24][CH2:25][CH2:26][CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:42](=[O:50])[O:59][CH2:39][C@H:41]([CH2:40][O:60][P:63]([OH:57])(=[O:58])[O:62][C@@H:49]1[C@H:47]([OH:55])[C@H:45]([OH:53])[C@@H:44]([OH:52])[C@H:46]([OH:54])[C@H:48]1[OH:56])[O:61][C:43]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:27][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:51] |
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