| Properties | Image |
|---|
| MNX_ID | MNXM1025117 |
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| reference | slm:000717506 |
| formula | C45H81NO8P |
| global charge | -1 |
| mol weight | 795.116 |
| InChIKey | VPNSQTHEJLZHSS-VYLRORIUSA-M |
| InChI | InChI=1S/C45H82NO8P/c1-4-7-10-12-14-16-18-20-21-22-24-26-28-30-32-35-39-51-41-43(42-53-55(49,50)52-40-38-46-44(47)36-33-9-6-3)54-45(48)37-34-31-29-27-25-23-19-17-15-13-11-8-5-2/h11-14,17,19,35,39,43H,4-10,15-16,18,20-34,36-38,40-42H2,1-3H3,(H,46,47)(H,49,50)/p-1/b13-11-,14-12-,19-17-,39-35-/t43-/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCC/C=C\CCCC)COP(=O)([O-])OCCNC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H82NO8P/c1-4-7-10-12-14-16-18-20-21-22-24-26-28-30-32-35-39-51-41-43(42-53-55(49,50)52-40-38-46-44(47)36-33-9-6-3)54-45(48)37-34-31-29-27-25-23-19-17-15-13-11-8-5-2/h11-14,17,19,35,39,43H,4-10,15-16,18,20-34,36-38,40-42H2,1-3H3,(H,46,47)(H,49,50)/b13-11-,14-12-,19-17-,39-35-/t43-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10]/[CH:12]=[CH:14]\[CH2:16][CH2:18][CH2:20][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32]/[CH:35]=[CH:39]\[O:51][CH2:41][C@H:43]([CH2:42][O:53][P:55]([OH:49])(=[O:50])[O:52][CH2:40][CH2:38][N:46]=[C:44]([CH2:36][CH2:33][CH2:9][CH2:6][CH3:3])[OH:47])[O:54][C:45]([CH2:37][CH2:34][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23]/[CH:19]=[CH:17]\[CH2:15]/[CH:13]=[CH:11]\[CH2:8][CH2:5][CH3:2])=[O:48] |
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