Mrv0541 02201410222D          

  8  7  0  0  1  0            999 V2000
   10.0877   -6.4018    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3766   -5.9835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8406   -5.9835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0877   -7.2384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6655   -6.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5517   -6.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8406   -5.1469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9126   -5.9835    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
M  END
> <ID>
CHEBI:9096

> <NAME>
L-selenohomocysteine

> <DEFINITION>
A selenoamino acid that is the selenium analogue of L-homocysteine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:26636

> <SYNONYM>
Selenohomocysteine; seleno-L-homocysteine

> <FORMULA>
C4H9NO2Se

> <MASS>
182.08000

> <MONOISOTOPIC_MASS>
182.97985

> <CHARGE>
0

> <SMILES>
N[C@@H](CC[SeH])C(O)=O

> <INCHI>
InChI=1S/C4H9NO2Se/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1

> <INCHIKEY>
RCWCGLALNCIQNM-VKHMYHEASA-N

> <REAXYS_REGISTRY_NUMBER>
8761894

> <KEGG_COMPOUND_ACCESSION>
C05698

> <METACYC_ACCESSION>
SELENOHOMOCYSTEINE

> <PUBMED_CITATION>
11078203; 11170420; 3338973; 6456763; 6461656

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