(R)-4'-phosphonatopantothenate(3-) (CHEBI:10986)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:10986 - (R)-4'-phosphonatopantothenate(3−)

Take structure to advanced search

ChEBI ID	CHEBI:10986
ChEBI Name	(R)-4'-phosphonatopantothenate(3−)
Stars
ASCII Name	(R)-4'-phosphonatopantothenate(3-)
Definition	An organophosphate oxoanion that is the trianion of (R)-5-phosphopantothenic acid arising from deprotonation of the carboxy and phosphate OH groups; major species at pH 7.3
Last Modified	10 March 2014
Downloads	Molfile

Formula	C9H15NO8P
Net Charge	-3
Average Mass	296.192
Monoisotopic Mass	296.05517
SMILES	CC(C)(COP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)[O-]
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)/p-3/t7-/m0/s1
InChIKey	XHFVGHPGDLDEQO-ZETCQYMHSA-K

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	DOI (10.1038/nbt.2488)

Roles Classification

Biological Role:

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology

Outgoing Relation(s)
	(R)-4'-phosphonatopantothenate(3−) (CHEBI:10986) has functional parent (R)-pantothenic acid (CHEBI:46905)
	(R)-4'-phosphonatopantothenate(3−) (CHEBI:10986) has role human metabolite (CHEBI:77746)
	(R)-4'-phosphonatopantothenate(3−) (CHEBI:10986) is a organophosphate oxoanion (CHEBI:58945)
	(R)-4'-phosphonatopantothenate(3−) (CHEBI:10986) is conjugate base of (R)-4'-phosphopantothenate(2−) (CHEBI:20891)
Incoming Relation(s)
Incoming Relation(s)	(R)-4'-phosphopantothenate(2−) (CHEBI:20891) is conjugate acid of (R)-4'-phosphonatopantothenate(3−) (CHEBI:10986)

IUPAC Name
3-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanamido]propanoate

UniProt Name	Source
(R)-4'-phosphopantothenate	UniProt