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name Structure Reference Source Properties Activities Metabolism

Discadenine; (±)-form

AlkaPlorer ID: AK296810

Synonym: None

IUPAC Name: 2-amino-4-[6-(3-methylbut-2-enylimino)-7H-purin-3-yl]butanoic acid

Structure

SMILES: CC(C)=CCNC1=C2N=CN=C2N(CCC(N)C(=O)O)C=N1

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InChI: InChI=1S/C14H20N6O2/c1-9(2)3-5-16-12-11-13(18-7-17-11)20(8-19-12)6-4-10(15)14(21)22/h3,7-8,10,16H,4-6,15H2,1-2H3,(H,21,22)

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InChIKey: KGVAAXZLUAKZEO-UHFFFAOYSA-N

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Reference

CAS: 62061-49-8

COCONUT: CNP0168055.1

Source

Species Genus Family Order Class Phylum Kingdom Domain
Dictyostelium discoideum Dictyostelium Dictyosteliaceae Dictyosteliales Eumycetozoa Evosea None Eukaryota

Properties Information

Molecule Weight: 304.35400000000004

TPSA？: 118.95000000000002

MolLogP？: 0.9579999999999996

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT005164 CC(C)=CCNc1ncnc2[nH]cnc12.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>CC(C)=CCNc1ncn(CCC(N)C(=O)O)c2ncnc1-2 R03726
AKRT005186 CC(C)=CCNc1ncnc2nc[nH]c12.C[S@@+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>CC(C)=CCNc1ncn(CCC(N)C(=O)O)c2ncnc1-2 DISCADENINE-SYNTHASE-RXN