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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (R)-4'-phosphopantothenic acid
ChEBI ID CHEBI:15905
ChEBI ASCII Name (R)-4'-phosphopantothenic acid
Definition An amidoalkyl phosphate that is the 4-phosphate derivative of (R)-pantothenic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:18702, CHEBI:4082
Supplier Information
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Formula C9H18NO8P
Net Charge 0
Average Mass 299.21492
Monoisotopic Mass 299.077
InChI InChI=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
InChIKey XHFVGHPGDLDEQO-ZETCQYMHSA-N
SMILES CC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Saccharomyces cerevisiae (NCBI:4932) Source: yeast.sf.net See: PubMed
Escherichia coli (NCBI:562) See: PubMed
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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 Sources
(R)-4'-Phosphopantothenate KEGG COMPOUND
(R)-N-(2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl)-β-alanine ChemIDplus
D-4'-Phosphopantothenate KEGG COMPOUND
N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-β-alanine IUPAC
phosphopantothenic acid ChemIDplus
Database Links Databases
C00019685 KNApSAcK
C03492 KEGG COMPOUND
PAZ PDBeChem
View more database links
Registry Numbers Types Sources
4754999 Beilstein Registry Number Beilstein
5875-50-3 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
19666462 PubMed citation Europe PMC
Last Modified
27 January 2016