CHEBI:111504 - validoxylamine A 7'-phosphate(1−)

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ChEBI Name validoxylamine A 7'-phosphate(1−) ChEBI ID CHEBI:111504 ChEBI ASCII Name validoxylamine A 7'-phosphate(1-) Definition An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups and protonation of the amino group of validoxylamine A 7'-phosphate; 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 C14H25NO11P Net Charge -1 Average Mass 414.323 Monoisotopic Mass 414.11707 InChI InChI=1S/C14H26NO11P/c16-3-5-1-7(11(19)13(21)9(5)17)15-8-2-6(4-26-27(23,24)25)10(18)14(22)12(8)20/h1,6-22H,2-4H2,(H2,23,24,25)/p-1/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1 InChIKey ZKSTYMJGEHZSFH-MBABXGOBSA-M SMILES C1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1COP([O-])(=O)[O-])O)O)O)[NH2+][C@@H]2[C@@H]([C@H]([C@@H](C(=C2)CO)O)O)O ChEBI Ontology Outgoing validoxylamine A 7'-phosphate(1−) (CHEBI:111504) is a organophosphate oxoanion (CHEBI:58945) validoxylamine A 7'-phosphate(1−) (CHEBI:111504) is conjugate base of validoxylamine A 7'-phosphate (CHEBI:131938) Incoming validoxylamine A 7'-phosphate (CHEBI:131938) is conjugate acid of validoxylamine A 7'-phosphate(1−) (CHEBI:111504) IUPAC Name [(1R,2R,3S,4S,5S)-2,3,4-trihydroxy-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]azaniumyl}cyclohexyl]methyl phosphate Synonym Source validoxylamine A 7'-phosphate UniProt Manual Xref Database CPD-18789 MetaCyc View more database links Citation Type Source 23028689 PubMed citation SUBMITTER Last Modified 17 May 2016