| Properties | Image |
MNX_ID | MNXM3447 |
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reference | biggM:2agpe141 |
formula | C19H38NO7P |
global charge | 0 |
mol weight | 423.487 |
InChIKey | RBKXDGUVZHKXHJ-UHFFFAOYSA-N |
InChI | InChI=1S/C19H38NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)25-16-18(21)17-27-28(23,24)26-15-14-20/h7-8,18,21H,2-6,9-17,20H2,1H3,(H,23,24) |
SMILES | CCCCCCC=CCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[NH3+] |
MNX internals
InChI (mnx) | InChI=1/C19H38NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)25-16-18(21)17-27-28(23,24)26-15-14-20/h7-8,18,21H,2-6,9-17,20H2,1H3,(H,23,24)/b8-7?/t18? |
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SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C:19](=[O:22])[O:25][CH2:16][CH:18]([CH2:17][O:27][P:28]([OH:23])(=[O:24])[O:26][CH2:15][CH2:14][NH2:20])[OH:21] |
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