5F0

(3~{S})-3-azanyl-4-methoxy-4-oxidanylidene-butanoic acid

Created:	2021-07-09
Last modified:	2024-09-27

Find Related PDB Entry
25 entries where 5F0 is found in a polymer sequence

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	1
Bond Count	18
Aromatic Bond Count	0

2D diagram of 5F0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(3~{S})-3-azanyl-4-methoxy-4-oxidanylidene-butanoic acid
Synonyms	1-methyl isoaspartic acid
Systematic Name (OpenEye OEToolkits)	(3~{S})-3-azanyl-4-methoxy-4-oxidanylidene-butanoic acid
Formula	C₅ H₉ N O₄
Molecular Weight	147.129
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COC(=O)[CH](N)CC(O)=O
SMILES	OpenEye OEToolkits	2.0.7	COC(=O)C(CC(=O)O)N
Canonical SMILES	CACTVS	3.385	COC(=O)[C@@H](N)CC(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	COC(=O)[C@H](CC(=O)O)N
InChI	InChI	1.03	InChI=1S/C5H9NO4/c1-10-5(9)3(6)2-4(7)8/h3H,2,6H2,1H3,(H,7,8)/t3-/m0/s1
InChIKey	InChI	1.03	SWWBMHIMADRNIK-VKHMYHEASA-N

Related Resource References

Resource Name	Reference
PubChem	6994681, 6994682

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.