Chemical Components in the PDB

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E7P : Summary

Code

E7P

One-letter code

X

Molecule name

(2S)-2-amino-4-phosphonobutanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-2-amino-4-phosphonobutanoic acid
OpenEye OEToolkits 2.0.6 (2~{S})-2-azanyl-4-phosphono-butanoic acid

Formula

C4 H10 N O5 P

Formal charge

0

Molecular weight

183.1 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OP(=O)(CCC(C(O)=O)N)O
SMILES CACTVS 3.385 N[CH](CC[P](O)(O)=O)C(O)=O
SMILES OpenEye OEToolkits 2.0.6 C(CP(=O)(O)O)C(C(=O)O)N
Canonical SMILES CACTVS 3.385 N[C@@H](CC[P](O)(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 C(CP(=O)(O)O)[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1

IUPAC InChI key

DDOQBQRIEWHWBT-VKHMYHEASA-N
E7P

wwPDB Information

Atom count

21 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-12-06

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned