bmse000209 D-Citrulline at BMRB

D-Citrulline

DL-Ornithine, N(5)-(aminocarbonyl)-; Citrulline; Ornithine, N5-carbamoyl-, DL-; dl-Citrulline; Citrulline, (dl)

Molecular Formula: C6 H13 N3 O3
Natural Isotopic Abundance Mass: 175.1857200000
Mono-Isotopic Molecular Masses: C12N14: 175.095691299; C13N14: 181.115820326; C12N15: 178.086795979; C13N15: 184.1069250056

D-Citrulline

InCHi String:
InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)

isomeric and canonical SMILES:
C(CC(C(=O)O)N)CNC(=O)N

IUPAC
2-amino-5-(carbamoylamino)pentanoic acid

IUPAC traditional: IUPAC cas: IUPAC openeye
2-amino-5-ureido-pentanoic acid

IUPAC systematic
2-amino-5-(aminocarbonylamino)pentanoic acid

PubChem Substance (SID):   85165025   254119
PubChem Compound (CID):   833
KEGG: Compound ID   n/a
CAS Registry IDs:   13594-51-9
PDB Chemical Component   CIR
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.