BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Spermine

Graphical representations:

Spermine image

View large 3D structure

Molecular Formula: C10 H26 N4

Natural Isotopic Abundance Mass: 202.3402400000

Mono-Isotopic Molecular Masses:

  • C12N14: 202.215746855
  • C13N14: 212.249295233
  • C12N15: 206.203886428
  • C13N15: 216.2374348062

InChI String: InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2

isomeric and canonical SMILES: C(CCNCCCN)CNCCCN

IUPAC
N,N'-bis(3-aminopropyl)butane-1,4-diamine

PubChem Substance (SID):   85164952   149211   4012
PubChem Compound (CID):   1103
KEGG: Compound ID   C00750
CAS Registry IDs:   115-04-8   71-44-3
PDB Chemical Component   SPK   SPM
Miscellaneous Databases and IDs:   CHEBI 15746   Beilstein Handbook Reference 4-04-00-01301   EINECS 200-754-2   NSC 268508

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773