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Spermidine
SpectraBase Compound ID CHU7BRVDDBc
InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
InChIKey ATHGHQPFGPMSJY-UHFFFAOYSA-N
Mol Weight 145.25 g/mol
Molecular Formula C7H19N3
Exact Mass 145.157898 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 42OWSyeuIcd
Name Spermidine
Acquisition Mode SIMULTANEOUS
CAS Registry Number 124-20-9
ChEBI ID 16610
Comments 100 mM spermidine - vendor: Sigma s2626; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C7 H19 N3
IUPAC Name N-(3-aminopropyl)butane-1,4-diamine
InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
InChIKey ATHGHQPFGPMSJY-UHFFFAOYSA-N
KEGG Compound ID C00315
KEGG Pathways PATH: map00220 Urea cycle and metabolism of amino groups PATH: map00410 beta-Alanine metabolism PATH: map02010 ABC transporters û General
PubChem Compound ID 1102
SMILES C(CCNCCCN)CN
Source File Reference bmse000116