Marvin  03191014462D          

 13 12  0  0  1  0            999 V2000
    4.9561   -4.3497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2430   -4.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9575   -4.7622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6705   -4.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5285   -4.7622    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2430   -3.5247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5285   -5.5872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3850   -4.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8140   -4.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0995   -4.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2416   -4.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5271   -4.3497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2416   -5.5872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  3  2  1  0  0  0  0
  6  2  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
  5  7  1  1  0  0  0
 10  8  1  0  0  0  0
 10  9  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
> <ID>
CHEBI:27747

> <NAME>
L-homoarginine

> <DEFINITION>
An L-lysine derivative that is the L-enantiomer of homoarginine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:43266; CHEBI:5749; CHEBI:24605

> <SYNONYM>
N6-amidino-Lysine; N6-amidino-L-Lysine; N6-(Aminoiminomethyl)-L-lysine; L-N(6)-amidinolysine; Homoarginine; Homo-L-arginine

> <IUPAC_NAME>
N(6)-carbamimidoyl-L-lysine

> <FORMULA>
C7H16N4O2

> <MASS>
188.22750

> <MONOISOTOPIC_MASS>
188.12733

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1

> <INCHIKEY>
QUOGESRFPZDMMT-YFKPBYRVSA-N

> <CAS_REGISTRY_NUMBER>
156-86-5

> <REAXYS_REGISTRY_NUMBER>
1726127

> <CHEMIDPLUS>
156-86-5

> <DRUGBANK_ACCESSION>
DB03974

> <KEGG_COMPOUND_ACCESSION>
C01924

> <KNAPSACK_ACCESSION>
C00001364

> <PDBECHEM_ACCESSION>
HRG

> <PUBMED_CITATION>
12768501; 18802314; 21737361; 25153574; 25474016; 25618752; 25647833; 25746168; 25792110; 25820767; 25828044; 25832546; 25894888; 25957527; 26031828; 26055922; 26077714; 26210755; 26562034; 26573540; 26676627; 6174211; 6186121; 6191705; 7518015

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