CHEBI:111505 - validoxylamine A(1+)

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ChEBI Name validoxylamine A(1+) ChEBI ID CHEBI:111505 Definition An organic cation resulting from the protonation of the amino group of validoxylamine A; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C14H26NO8 Net Charge +1 Average Mass 336.359 Monoisotopic Mass 336.16529 InChI InChI=1S/C14H25NO8/c16-3-5-1-7(11(20)13(22)9(5)18)15-8-2-6(4-17)10(19)14(23)12(8)21/h1,6-23H,2-4H2/p+1/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1 InChIKey YCJYNBLLJHFIIW-MBABXGOBSA-O SMILES C1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)[NH2+][C@@H]2[C@@H]([C@H]([C@@H](C(=C2)CO)O)O)O ChEBI Ontology Outgoing validoxylamine A(1+) (CHEBI:111505) is a ammonium ion derivative (CHEBI:35274) validoxylamine A(1+) (CHEBI:111505) is a organic cation (CHEBI:25697) validoxylamine A(1+) (CHEBI:111505) is conjugate acid of validoxylamine A (CHEBI:131941) Incoming validoxylamine A (CHEBI:131941) is conjugate base of validoxylamine A(1+) (CHEBI:111505) IUPAC Name (1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-N-[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]cyclohex-2-en-1-aminium Synonym Source validoxylamine A UniProt Manual Xref Database CPD-9669 MetaCyc View more database links Citation Type Source 23028689 PubMed citation Europe PMC Last Modified 17 May 2016