Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004904

Phytochemical name: Spermidine

Synonymous chemical names:
spermidine, Spermidine

External chemical identifiers:
CID:CID_1102, ChEMBL:CHEMBL19612, ChEBI:CHEBI:16610, ZINC:ZINC000001532612, FDASRS:U87FK77H25, SureChEMBL:SCHEMBL15618, MolPort-001-761-230

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Chemical structure information

SMILES:
NCCCNCCCCN

InChI:
InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2

InChIKey:
ATHGHQPFGPMSJY-UHFFFAOYSA-N

DeepSMILES:
NCCCNCCCCN

Functional groups:
CN, CNC

Link to spectral information:
MSBNK-Keio_Univ-KO003974, MSBNK-RIKEN_ReSpect-PS034103, MSBNK-RIKEN_ReSpect-PS034102, MSBNK-RIKEN_ReSpect-PS034101, MSBNK-RIKEN-PR010234, MSBNK-Osaka_Univ-OUF00462, MSBNK-NAIST-KNA00461, MSBNK-NAIST-KNA00062, MSBNK-Keio_Univ-KO003976, MSBNK-Keio_Univ-KO003975, MSBNK-Keio_Univ-KO003973, MSBNK-IPB_Halle-PB000486, MSBNK-Keio_Univ-KO003972, MSBNK-IPB_Halle-PB000485, MSBNK-IPB_Halle-PB000484, MSBNK-IPB_Halle-PB000483, MSBNK-GL_Sciences_Inc-GLS00123, MSBNK-BGC_Munich-RP022003, MSBNK-BGC_Munich-RP022002, MSBNK-BGC_Munich-RP022001, MSBNK-Antwerp_Univ-METOX_P104601_FB57, MSBNK-Antwerp_Univ-METOX_P104601_F638, MSBNK-Antwerp_Univ-METOX_P104601_EF88

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Amines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Polyamines

NP-Likeness score: 0.215

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Chemical structure download