| Properties | Image |
|---|
| MNX_ID | MNXM224285 |
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| reference | slm:000006827 |
| formula | C45H85NO10P |
| global charge | -1 |
| mol weight | 831.146 |
| InChIKey | VXYHAKAJYWJOSM-KVDKQALNSA-M |
| InChI | InChI=1S/C45H86NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-26-28-30-32-34-36-43(47)53-38-41(39-54-57(51,52)55-40-42(46)45(49)50)56-44(48)37-35-33-31-29-27-24-18-16-14-12-10-8-6-4-2/h17,19,41-42H,3-16,18,20-40,46H2,1-2H3,(H,49,50)(H,51,52)/p-1/b19-17-/t41-,42+/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-])OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H86NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-26-28-30-32-34-36-43(47)53-38-41(39-54-57(51,52)55-40-42(46)45(49)50)56-44(48)37-35-33-31-29-27-24-18-16-14-12-10-8-6-4-2/h17,19,41-42H,3-16,18,20-40,46H2,1-2H3,(H,49,50)(H,51,52)/b19-17-/t41-,42+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:43](=[O:47])[O:53][CH2:38][C@H:41]([CH2:39][O:54][P:57]([OH:51])(=[O:52])[O:55][CH2:40][C@@H:42]([C:45](=[O:49])[OH:50])[NH2:46])[O:56][C:44]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:24][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:48] |
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