| Properties | Image |
|---|
| MNX_ID | MNXM953895 |
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| reference | slm:000646280 |
| formula | C44H81NO9P |
| global charge | -1 |
| mol weight | 799.104 |
| InChIKey | OALJEBZCOHNRBR-AEMPDOMJSA-M |
| InChI | InChI=1S/C44H82NO9P/c1-4-7-10-12-14-16-18-19-20-21-22-23-24-26-27-29-32-35-43(47)51-39-41(54-44(48)36-33-30-28-25-17-15-13-11-8-5-2)40-53-55(49,50)52-38-37-45-42(46)34-31-9-6-3/h14,16,19-20,41H,4-13,15,17-18,21-40H2,1-3H3,(H,45,46)(H,49,50)/p-1/b16-14-,20-19-/t41-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCC)OC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C44H82NO9P/c1-4-7-10-12-14-16-18-19-20-21-22-23-24-26-27-29-32-35-43(47)51-39-41(54-44(48)36-33-30-28-25-17-15-13-11-8-5-2)40-53-55(49,50)52-38-37-45-42(46)34-31-9-6-3/h14,16,19-20,41H,4-13,15,17-18,21-40H2,1-3H3,(H,45,46)(H,49,50)/b16-14-,20-19-/t41-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:27][CH2:29][CH2:32][CH2:35][C:43](=[O:47])[O:51][CH2:39][C@H:41]([CH2:40][O:53][P:55]([OH:49])(=[O:50])[O:52][CH2:38][CH2:37][N:45]=[C:42]([CH2:34][CH2:31][CH2:9][CH2:6][CH3:3])[OH:46])[O:54][C:44]([CH2:36][CH2:33][CH2:30][CH2:28][CH2:25][CH2:17][CH2:15][CH2:13][CH2:11][CH2:8][CH2:5][CH3:2])=[O:48] |
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