EPM
N-PALMITOYL-L-METHIONINE
Created: | 2005-05-23 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 67 |
Chiral Atom Count | 1 |
Bond Count | 66 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | N-PALMITOYL-L-METHIONINE |
Systematic Name (OpenEye OEToolkits) | (2S)-2-(hexadecanoylamino)-4-methylsulfanyl-butanoic acid |
Formula | C21 H41 N O3 S |
Molecular Weight | 387.62 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NC(C(=O)O)CCSC)CCCCCCCCCCCCCCC |
SMILES | CACTVS | 3.341 | CCCCCCCCCCCCCCCC(=O)N[CH](CCSC)C(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCCCC(=O)NC(CCSC)C(=O)O |
Canonical SMILES | CACTVS | 3.341 | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C21H41NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)22-19(21(24)25)17-18-26-2/h19H,3-18H2,1-2H3,(H,22,23)(H,24,25)/t19-/m0/s1 |
InChIKey | InChI | 1.03 | FCVASHHBGGKTGT-IBGZPJMESA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 486207 |