| Properties | Image |
MNX_ID | MNXM8541 |
 |
reference | chebi:140729 |
formula | C27H47NO4 |
global charge | 0 |
mol weight | 449.676 |
InChIKey | RDIZZXFTCZPSRY-YOILPLPUSA-N |
InChI | InChI=1S/C27H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h9-10,12-13,15-16,25H,5-8,11,14,17-24H2,1-4H3/b10-9-,13-12-,16-15- |
SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C |
MNX internals
InChI (mnx) | InChI=1/C27H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h9-10,12-13,15-16,25H,5-8,11,14,17-24H2,1-4H3/b10-9-,13-12-,16-15-/t25? |
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SMILES (mnx) | [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C:27](=[O:31])[O:32][CH:25]([CH2:23][C:26](=[O:29])[O-:30])[CH2:24][N+:28]([CH3:2])([CH3:3])[CH3:4] |
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