bmse000072 Cadaverine at BMRB

Cadaverine
bmse000072 - data
bmst000051 - theory

Cadaverine

Cadaverine; AI3-26937; 1,5-Pentanediamine; 1,5-Pentamethylenediamine; Cadaverin; Animal coniine; 1,5-Diaminopentane; Pentamethylenediamine

Molecular Formula: C5 H14 N2
Natural Isotopic Abundance Mass: 102.1780600000
Mono-Isotopic Molecular Masses: C12N14: 102.11569846; C13N14: 107.132472649; C12N15: 104.109768246; C13N15: 109.1265424352

Cadaverine

InCHi String:
InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2

isomeric and canonical SMILES:
C(CCN)CCN

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
pentane-1,5-diamine

PubChem Substance (SID):   85164918   153253   4816
PubChem Compound (CID):   273
KEGG: Compound ID   C01672
CAS Registry IDs:   462-94-2
PDB Chemical Component   N2P   ANN
Miscellaneous Databases and IDs:   CHEBI 18127   Beilstein Handbook Reference 4-04-00-01310   EINECS 207-329-0

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.