Chemical Components in the PDB

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P3P : Summary

Code

P3P

One-letter code

X

Molecule name

(2S)-2-AMINO-4-[METHYL(PHOSPHONOOXY)PHOSPHORYL]BUTANOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-2-amino-4-[(R)-methyl(phosphonooxy)phosphoryl]butanoic acid
OpenEye OEToolkits 1.5.0 (2S)-2-amino-4-(methyl-phosphonooxy-phosphoryl)butanoic acid

Formula

C5 H13 N O7 P2

Formal charge

0

Molecular weight

261.107 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(OP(=O)(O)O)(CCC(C(=O)O)N)C
SMILES CACTVS 3.341 C[P](=O)(CC[CH](N)C(O)=O)O[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 CP(=O)(CCC(C(=O)O)N)OP(=O)(O)O
Canonical SMILES CACTVS 3.341 C[P@](=O)(CC[C@H](N)C(O)=O)O[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C[P@](=O)(CC[C@@H](C(=O)O)N)OP(=O)(O)O

IUPAC InChI

InChI=1S/C5H13NO7P2/c1-14(9,13-15(10,11)12)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H2,10,11,12)/t4-,14+/m0/s1

IUPAC InChI key

UXRZHSKRCMUNIN-YZSVAWROSA-N
P3P

wwPDB Information

Atom count

28 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-09-27

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned