SPD

SPERMIDINE

Created: 1999-07-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count0
Bond Count28
Aromatic Bond Count0
2D diagram of SPD
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Chemical Component Summary

NameSPERMIDINE
SynonymsN-(2-AMINO-PROPYL)-1,4-DIAMINOBUTANE; PA(34)
Systematic Name (OpenEye OEToolkits)N-(3-aminopropyl)butane-1,4-diamine
FormulaC7 H19 N3
Molecular Weight145.246
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04NCCCNCCCCN
SMILESCACTVS3.341NCCCCNCCCN
SMILESOpenEye OEToolkits1.5.0C(CCNCCCN)CN
Canonical SMILESCACTVS3.341 NCCCCNCCCN
Canonical SMILESOpenEye OEToolkits1.5.0 C(CCNCCCN)CN
InChIInChI1.03 InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
InChIKeyInChI1.03 ATHGHQPFGPMSJY-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB03566 
NameSpermidine
Groups experimental
DescriptionSpermidine is a polyamine formed from putrescine. It is found in almost all tissues in association with nucleic acids. It is found as a cation at all pH values, and is thought to help stabilize some membranes and nucleic acid structures. It is a precursor of spermine.
Synonyms
  • 4-azaoctamethylenediamine
  • 4-azaoctane-1,8-diamine
  • Spermidine
  • N-(3-Aminopropyl)-1,4-butane-diamine
  • N-(3-aminopropyl)butane-1,4-diamine
Categories
  • Amines
  • Biogenic Amines
  • Biogenic Polyamines
  • OCT1 substrates
  • Polyamines
CAS number124-20-9

Drug Targets

NameTarget SequencePharmacological ActionActions
Beta-1 adrenergic receptorMGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESP...unknown
Beta-2 adrenergic receptorMGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFG...unknown
Thioredoxin reductase 1, cytoplasmicMGCAEGKAVAAAAPTELQTKGKNGDGRRRSAKDHHPGKTLPENPAGFTST...unknown
Gentamicin 3'-acetyltransferaseMLRSSNDVTQQGSRPKTKLGGSSMGIIRTCRLGPDQVKSMRAALDLFGRE...unknown
Spermidine/putrescine-binding periplasmic proteinMKKWSRHLLAAGALALGMSAAHADDNNTLYFYNWTEYVPPGLLEQFTKET...unknown
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL19612
PubChem 1102
ChEMBL CHEMBL19612
ChEBI CHEBI:16610
CCDC/CSD SPEPOH, SPIHCL