| Properties | Image |
MNX_ID | MNXM325174 |
 |
reference | slm:000034519 |
formula | C36H68NO8P |
global charge | 0 |
mol weight | 673.913 |
InChIKey | FEZVWOZQUYJRER-ATLZBAARSA-N |
InChI | InChI=1S/C36H68NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37)45-36(39)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h7,9,13,15,34H,3-6,8,10-12,14,16-33,37H2,1-2H3,(H,40,41)/b9-7-,15-13-/t34-/m1/s1 |
SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C36H68NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37)45-36(39)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h7,9,13,15,34H,3-6,8,10-12,14,16-33,37H2,1-2H3,(H,40,41)/b9-7-,15-13-/t34-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:3][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17][CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][C:35](=[O:38])[O:42][CH2:32][C@H:34]([CH2:33][O:44][P:46]([OH:40])(=[O:41])[O:43][CH2:31][CH2:30][NH2:37])[O:45][C:36]([CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:39] |
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