bmse000745 Homoarginine at BMRB

Homoarginine

L-Lysine, N(sup 6)-(aminoiminomethyl)-; Homoarginine; L-N(sup 6)-Amidinolysine; Lysine, N(sup 6)-amidino-, L-; L-Homoarginine; L-Lysine, N6-(aminoiminomethyl)- (9CI)

Molecular Formula: C7 H16 N4 O2
Natural Isotopic Abundance Mass: 188.22754
Mono-Isotopic Molecular Masses: C12N14: 188.1273257786; C13N14: 195.1508096432; C12N15: 192.1154653514; C13N15: 199.138949216

Homoarginine

InCHi String:
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

canonical SMILES:
C(CCN=C(N)N)CC(C(=O)O)N
isomeric SMILES:
C(CCN=C(N)N)C[C@@H](C(=O)O)N

PUBCHEM iupac NAME
(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
(2S)-2-amino-6-guanidino-hexanoic acid

PUBCHEM iupac CAS NAME
(2S)-2-amino-6-guanidinohexanoic acid

PUBCHEM iupac SYSTEMATIC NAME
(2S)-2-azanyl-6-[bis(azanyl)methylideneamino]hexanoic acid

PubChem Substance (SID):   111677876   152276   5030
PubChem Compound (CID):   9085
KEGG: Compound ID   C01924
CAS Registry IDs:   156-86-5   13094-78-5
PDB Chemical Component   HRG
Miscellaneous Databases and IDs:   CAS 156-86-5   MMCD cq_01229   ChemIDplus 000156865   NIST 760275665

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.