| Properties | Image |
|---|
| MNX_ID | MNXM191208 |
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| reference | slm:000001546 |
| formula | C42H77NO10P |
| global charge | -1 |
| mol weight | 787.049 |
| InChIKey | NAVCGUFNYRAMLX-GLUWHWKHSA-M |
| InChI | InChI=1S/C42H78NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,24,26,38-39H,3-12,14,16-23,25,27-37,43H2,1-2H3,(H,46,47)(H,48,49)/p-1/b15-13+,26-24-/t38-,39+/m1/s1 |
| SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-])OC(=O)CCCC/C=C\CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C42H78NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,24,26,38-39H,3-12,14,16-23,25,27-37,43H2,1-2H3,(H,46,47)(H,48,49)/b15-13+,26-24-/t38-,39+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]/[CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:40](=[O:44])[O:50][CH2:35][C@H:38]([CH2:36][O:51][P:54]([OH:48])(=[O:49])[O:52][CH2:37][C@@H:39]([C:42](=[O:46])[OH:47])[NH2:43])[O:53][C:41]([CH2:34][CH2:32][CH2:30][CH2:28]/[CH:26]=[CH:24]\[CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:45] |
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