Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID010582

Phytochemical name: Spermine

Synonymous chemical names:
spermine, Spermine

External chemical identifiers:
CID:CID_1103, ChEMBL:CHEMBL23194, ChEBI:CHEBI:15746, ZINC:ZINC000001532734, FDASRS:2FZ7Y3VOQX, SureChEMBL:SCHEMBL14965, MolPort-003-850-274

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Chemical structure information

SMILES:
NCCCNCCCCNCCCN

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

InChIKey:
PFNFFQXMRSDOHW-UHFFFAOYSA-N

DeepSMILES:
NCCCNCCCCNCCCN

Functional groups:
CN, CNC

Link to spectral information:
MSBNK-NAIST-KNA00103, MSBNK-NAIST-KNA00104, MSBNK-RIKEN_ReSpect-PS034204, MSBNK-NAIST-KNA00463, MSBNK-NAIST-KNA00464, MSBNK-NAIST-KNA00465, MSBNK-RIKEN-PR010236, MSBNK-Osaka_Univ-OUF00463, MSBNK-RIKEN-PR010235, MSBNK-RIKEN_ReSpect-PS034201, MSBNK-RIKEN_ReSpect-PS034202, MSBNK-RIKEN_ReSpect-PS034203, MSBNK-NAIST-KNA00102, MSBNK-NAIST-KNA00466, MSBNK-NAIST-KNA00101, MSBNK-Keio_Univ-KO003980, MSBNK-Keio_Univ-KO009231, MSBNK-Keio_Univ-KO009232, MSBNK-Antwerp_Univ-METOX_P104701_EF88, MSBNK-Antwerp_Univ-METOX_P104701_FB57, MSBNK-IPB_Halle-PB000487, MSBNK-IPB_Halle-PB000488, MSBNK-IPB_Halle-PB000489, MSBNK-Antwerp_Univ-METOX_P104701_F638, MSBNK-Keio_Univ-KO003977, MSBNK-Keio_Univ-KO003978, MSBNK-Keio_Univ-KO003979, MSBNK-Keio_Univ-KO003981, MSBNK-Keio_Univ-KO009230, MSBNK-IPB_Halle-PB000490

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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: 0.086

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Chemical structure download