| Properties | Image |
|---|
| MNX_ID | MNXM1034763 |
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| reference | slm:000727152 |
| formula | C55H99NO8P |
| global charge | -1 |
| mol weight | 933.37 |
| InChIKey | ADBGXFBQFGTJMY-QTZKIBOTSA-M |
| InChI | InChI=1S/C55H100NO8P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-45-49-61-51-53(52-63-65(59,60)62-50-48-56-54(57)46-43-9-6-3)64-55(58)47-44-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h15,17,21,23,27,29,33,35,39,41,53H,4-14,16,18-20,22,24-26,28,30-32,34,36-38,40,42-52H2,1-3H3,(H,56,57)(H,59,60)/p-1/b17-15-,23-21-,29-27-,35-33-,41-39-/t53-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H100NO8P/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-45-49-61-51-53(52-63-65(59,60)62-50-48-56-54(57)46-43-9-6-3)64-55(58)47-44-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h15,17,21,23,27,29,33,35,39,41,53H,4-14,16,18-20,22,24-26,28,30-32,34,36-38,40,42-52H2,1-3H3,(H,56,57)(H,59,60)/b17-15-,23-21-,29-27-,35-33-,41-39-/t53-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:45][CH2:49][O:61][CH2:51][C@H:53]([CH2:52][O:63][P:65]([OH:59])(=[O:60])[O:62][CH2:50][CH2:48][N:56]=[C:54]([CH2:46][CH2:43][CH2:9][CH2:6][CH3:3])[OH:57])[O:64][C:55]([CH2:47][CH2:44]/[CH:41]=[CH:39]\[CH2:37]/[CH:35]=[CH:33]\[CH2:31]/[CH:29]=[CH:27]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:58] |
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