bmse000442 L-homocitrulline at BMRB

L-homocitrulline

(2S)-2-amino-6-(carbamoylamino)hexanoic acid; N(6)-carbamoyl-L-lysine; L-Homocitrulline; N(6)-(aminocarbonyl)-L-lysine; L-Lysine, N(6)-(aminocarbonyl)-; Homocitrulline

Molecular Formula: C7 H15 N3 O3
Natural Isotopic Abundance Mass: 189.2123
Mono-Isotopic Molecular Masses: C12N14: 189.1113413634; C13N14: 196.134825228; C12N15: 192.102446043; C13N15: 199.1259299076

L-homocitrulline

InCHi String:
InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1

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

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

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

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

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

PubChem Substance (SID):   85165231   207029   43121912
PubChem Compound (CID):   65072
KEGG: Compound ID   C02427
CAS Registry IDs:   1190-49-4
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   ChEBI CHEBI:17443   ChemIDplus 001190494   ChemSpider 58582   EINECS 214-722-0

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.