ChEBI


  9  8  0  0  0  0  0  0  0  0  1 V2000
    6.8454  -30.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9972  -31.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1490  -30.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3008  -31.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4526  -30.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6045  -31.2039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6936  -31.2039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3008  -32.5339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4526  -29.2089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
M  END
> <ID>
CHEBI:18257

> <NAME>
ornithine

> <DEFINITION>
An α-amino acid that is pentanoic acid bearing two amino substituents at positions 2 and 5.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:7784

> <SYNONYM>
Ornithine; Orn; DL-Ornithine; 2,5-Diaminovaleric acid; 2,5-Diaminopentanoic acid

> <IUPAC_NAME>
ornithine; 2,5-diaminopentanoic acid

> <FORMULA>
C5H12N2O2

> <MASS>
132.16106

> <MONOISOTOPIC_MASS>
132.08988

> <CHARGE>
0

> <SMILES>
NCCCC(N)C(O)=O

> <INCHI>
InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)

> <INCHIKEY>
AHLPHDHHMVZTML-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1722296

> <CAS_REGISTRY_NUMBER>
616-07-9

> <GMELIN_REGISTRY_NUMBER>
847696

> <REAXYS_REGISTRY_NUMBER>
1722296

> <CHEMIDPLUS>
616-07-9

> <KEGG_COMPOUND_ACCESSION>
C01602

> <KNAPSACK_ACCESSION>
C00001384

> <PUBMED_CITATION>
15449570; 17190852; 22264337

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