2IRJ_ZSP_?_25
  RCSB PDB12061705573D
Coordinates from PDB:2IRJ:?:25 Model:1 without hydrogens
  2  0  0  0  0  0            999 V2000
   18.8880   30.2370   39.2010   C 0  0  0  0  0  0  0  0  0  0  0  0
   16.5720   31.7500   36.6010   C 0  0  0  0  0  0  0  0  0  0  0  0
A    1
C16
A    2
C13
M  END
>  <InstanceId>
2IRJ_ZSP_?_25

>  <ChemCompId>
ZSP

>  <PdbId>
2IRJ

>  <ChainId>
?

>  <ResidueNumber>
25

>  <InsertionCode>


>  <Model>
1

>  <AltIds>


>  <MissingHeavyAtoms>
15

>  <ObservedFormula>
C2

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

>  <SystematicName>
2-azanyl-6-[(Z)-1,2-bis(oxidanyl)prop-1-enyl]-7,8-dihydro-3H-pteridin-4-one

>  <Synonyms>
Sepiapterin  (enol-form)

>  <Type>
NON-POLYMER

>  <Formula>
C9 H11 N5 O3

>  <MolecularWeight>
237.215

>  <ModifiedDate>
2014-07-11

>  <Parent>


>  <OneLetterCode>


>  <SubcomponentList>


>  <AmbiguousFlag>
N

>  <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-

>  <InChIKey>
FYDGMRRMOMSOLR-UTCJRWHESA-N

>  <SMILES>
C/C(=C(\C1=NC2=C(NC1)N=C(NC2=O)N)/O)/O

$$$$
