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CHEBI:65010 - 2'-N-acetylparomamine(2+)

ChEBI IDCHEBI:65010
ChEBI Name2'-N-acetylparomamine(2+)
Stars
ASCII Name2'-N-acetylparomamine(2+)
DefinitionAn organic cation obtained by protonation of the two free amino groups of 2'-N-acetylparomamine; major species at pH 7.3.
Last Modified22 June 2012
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC14H29N3O8
Net Charge+2
Average Mass367.399
Monoisotopic Mass367.19437
SMILESCC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H]([NH3+])C[C@@H]2[NH3+])O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H27N3O8/c1-4(19)17-8-11(22)10(21)7(3-18)24-14(8)25-13-6(16)2-5(15)9(20)12(13)23/h5-14,18,20-23H,2-3,15-16H2,1H3,(H,17,19)/p+2/t5-,6+,7-,8-,9+,10-,11-,12-,13-,14-/m1/s1
InChIKeyARLIVUJSSKFVPL-JPYLPOILSA-P
ChEBI Ontology
Outgoing Relation(s)
2'-N-acetylparomamine(2+) (CHEBI:65010) is a ammonium ion derivative (CHEBI:35274)
2'-N-acetylparomamine(2+) (CHEBI:65010) is a organic cation (CHEBI:25697)
2'-N-acetylparomamine(2+) (CHEBI:65010) is conjugate acid of 2'-N-acetylparomamine (CHEBI:65018)
Incoming Relation(s)
2'-N-acetylparomamine (CHEBI:65018) is conjugate base of 2'-N-acetylparomamine(2+) (CHEBI:65010)
IUPAC Name 
(1R,3S,4R,5R,6S)-4-[(2-acetamido-2-deoxy-α-D-glucopyranosyl)oxy]-5,6-dihydroxycyclohexane-1,3-diaminium
UniProt Name  Source
2'-N-acetylparomamineUniProt
Manual XrefsDatabases
C17582KEGG COMPOUND
CPD-14126MetaCyc
Citations