Chemical Components in the PDB

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ZSP : Summary

Code

ZSP

One-letter code

X

Molecule name

2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one

Synonyms

Sepiapterin (enol-form)

Systematic names

ProgramVersionName
ACDLabs 12.01 2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one
OpenEye OEToolkits 1.7.6 2-azanyl-6-[(Z)-1,2-bis(oxidanyl)prop-1-enyl]-7,8-dihydro-3H-pteridin-4-one

Formula

C9 H11 N5 O3

Formal charge

0

Molecular weight

237.215 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C1C=2N=C(C(\O)=C(\O)C)CNC=2N=C(N)N1
SMILES CACTVS 3.385 CC(O)=C(O)C1=NC2=C(NC1)N=C(N)NC2=O
SMILES OpenEye OEToolkits 1.7.6 CC(=C(C1=NC2=C(NC1)N=C(NC2=O)N)O)O
Canonical SMILES CACTVS 3.385 CC(/O)=C(O)\C1=NC2=C(NC1)N=C(N)NC2=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C/C(=C(\C1=NC2=C(NC1)N=C(NC2=O)N)/O)/O

IUPAC InChI

InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h15-16H,2H2,1H3,(H4,10,11,13,14,17)/b6-3-

IUPAC InChI key

FYDGMRRMOMSOLR-UTCJRWHESA-N
ZSP

wwPDB Information

Atom count

28 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-12-20

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned