| Properties | Image |
MNX_ID | MNXM345891 |
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reference | slm:000030079 |
formula | C16H31NO9P |
global charge | -1 |
mol weight | 412.396 |
InChIKey | XLFMXEPONOVGCN-KGLIPLIRSA-M |
InChI | InChI=1S/C16H32NO9P/c1-2-3-4-5-6-7-8-9-15(19)24-10-13(18)11-25-27(22,23)26-12-14(17)16(20)21/h13-14,18H,2-12,17H2,1H3,(H,20,21)(H,22,23)/p-1/t13-,14+/m1/s1 |
SMILES | CCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-] |
MNX internals
InChI (mnx) | InChI=1/C16H32NO9P/c1-2-3-4-5-6-7-8-9-15(19)24-10-13(18)11-25-27(22,23)26-12-14(17)16(20)21/h13-14,18H,2-12,17H2,1H3,(H,20,21)(H,22,23)/t13-,14+/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C:15](=[O:19])[O:24][CH2:10][C@H:13]([CH2:11][O:25][P:27]([OH:22])(=[O:23])[O:26][CH2:12][C@@H:14]([C:16](=[O:20])[OH:21])[NH2:17])[OH:18] |
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