Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

Z3P : Summary

Code

Z3P

One-letter code

X

Molecule name

3,3',3''-phosphoryltripropanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 3,3',3''-phosphoryltripropanoic acid
OpenEye OEToolkits 2.0.4 3-[bis(3-hydroxy-3-oxopropyl)phosphoryl]propanoic acid

Formula

C9 H15 O7 P

Formal charge

0

Molecular weight

266.185 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)CCP(=O)(CCC(=O)O)CCC(=O)O
SMILES CACTVS 3.385 OC(=O)CC[P](=O)(CCC(O)=O)CCC(O)=O
SMILES OpenEye OEToolkits 2.0.4 C(CP(=O)(CCC(=O)O)CCC(=O)O)C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)CC[P](=O)(CCC(O)=O)CCC(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.4 C(CP(=O)(CCC(=O)O)CCC(=O)O)C(=O)O

IUPAC InChI

InChI=1S/C9H15O7P/c10-7(11)1-4-17(16,5-2-8(12)13)6-3-9(14)15/h1-6H2,(H,10,11)(H,12,13)(H,14,15)

IUPAC InChI key

XJGZCDJZBUBTKW-UHFFFAOYSA-N
Z3P

wwPDB Information

Atom count

32 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-05-11

Last modified at

2019-03-22

Status

Released

Obsoleted

Not Assigned