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CHEBI:15905 - (R)-4'-phosphopantothenic acid

ChEBI IDCHEBI:15905
ChEBI Name(R)-4'-phosphopantothenic acid
Stars
ASCII Name(R)-4'-phosphopantothenic acid
DefinitionAn amidoalkyl phosphate that is the 4-phosphate derivative of (R)-pantothenic acid.
Secondary ChEBI IDsCHEBI:4082, CHEBI:18702
Last Modified27 January 2016
DownloadsMolfile
FormulaC9H18NO8P
Net Charge0
Average Mass299.216
Monoisotopic Mass299.07700
SMILESCC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)O
InChIInChI=1S/C9H18NO8P/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17)/t7-/m0/s1
InChIKeyXHFVGHPGDLDEQO-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
(R)-4'-phosphopantothenic acid (CHEBI:15905) has functional parent (R)-pantothenic acid (CHEBI:46905)
(R)-4'-phosphopantothenic acid (CHEBI:15905) has role Escherichia coli metabolite (CHEBI:76971)
(R)-4'-phosphopantothenic acid (CHEBI:15905) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
(R)-4'-phosphopantothenic acid (CHEBI:15905) has role mouse metabolite (CHEBI:75771)
(R)-4'-phosphopantothenic acid (CHEBI:15905) is a amidoalkyl phosphate (CHEBI:37481)
(R)-4'-phosphopantothenic acid (CHEBI:15905) is conjugate acid of (R)-4'-phosphopantothenate(1−) (CHEBI:12886)
Incoming Relation(s)
(R)-4'-phosphopantothenate(1−) (CHEBI:12886) is conjugate base of (R)-4'-phosphopantothenic acid (CHEBI:15905)
IUPAC Name 
3-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanamido]propanoic acid
Synonyms  Source
D-4'-PhosphopantothenateKEGG COMPOUND
(R)-4'-PhosphopantothenateKEGG COMPOUND
N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-β-alanineIUPAC
(R)-N-(2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl)-β-alanineChemIDplus
phosphopantothenic acidChemIDplus
Manual XrefsDatabases
C03492KEGG COMPOUND
PAZPDBeChem
C00019685KNApSAcK
Registry NumbersSources
Beilstein:4754999Beilstein
CAS:5875-50-3ChemIDplus
Citations