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CHEBI:62526 - (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol(1+)

ChEBI IDCHEBI:62526
ChEBI Name(2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol(1+)
Stars
ASCII Name(2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol(1+)
DefinitionAn ammonium ion resulting from the protonation of the amino group of (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol. Major species at pH 7.3.
Last Modified6 July 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H48NO5
Net Charge+1
Average Mass406.628
Monoisotopic Mass406.35270
SMILESCCCC[C@@H](C)[C@@H](O)[C@@H](O)C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)[NH3+]
InChIInChI=1S/C22H47NO5/c1-5-6-9-16(3)22(28)21(27)13-15(2)12-18(24)10-7-8-11-19(25)14-20(26)17(4)23/h15-22,24-28H,5-14,23H2,1-4H3/p+1/t15-,16+,17-,18+,19+,20-,21-,22+/m0/s1
InChIKeyUWWVLQOLROBFTD-GADKELDLSA-O
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol(1+) (CHEBI:62526) is a ammonium ion derivative (CHEBI:35274)
(2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol(1+) (CHEBI:62526) is conjugate acid of (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol (CHEBI:62519)
Incoming Relation(s)
(2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol (CHEBI:62519) is conjugate base of (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol(1+) (CHEBI:62526)
IUPAC Name 
(2S,3S,5R,10R,12S,14S,15R,16R)-3,5,10,14,15-pentahydroxy-12,16-dimethylicosan-2-aminium
Synonyms  Source
HFB1(1+)ChEBI
aminopentol(1+)ChEBI
UniProt Name  Source
(2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentolUniProt
Manual XrefsDatabases
CPD-13182MetaCyc
Citations