Chemical Components in the PDB

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N4O : Summary

Code

N4O

One-letter code

X

Molecule name

(2R)-2-hydroxy-3-oxobutyl dihydrogen phosphate

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-2-hydroxy-3-oxobutyl dihydrogen phosphate
OpenEye OEToolkits 2.0.7 [(2~{R})-2-oxidanyl-3-oxidanylidene-butyl] dihydrogen phosphate

Formula

C4 H9 O6 P

Formal charge

0

Molecular weight

184.084 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(O)OCC(O)C(C)=O
SMILES CACTVS 3.385 CC(=O)[CH](O)CO[P](O)(O)=O
SMILES OpenEye OEToolkits 2.0.7 CC(=O)C(COP(=O)(O)O)O
Canonical SMILES CACTVS 3.385 CC(=O)[C@H](O)CO[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)[C@@H](COP(=O)(O)O)O

IUPAC InChI

InChI=1S/C4H9O6P/c1-3(5)4(6)2-10-11(7,8)9/h4,6H,2H2,1H3,(H2,7,8,9)/t4-/m1/s1

IUPAC InChI key

OKYHYXLCTGGOLM-SCSAIBSYSA-N
N4O

wwPDB Information

Atom count

20 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-03-23

Last modified at

2022-07-15

Status

Released

Obsoleted

Not Assigned