CHEBI:59458 - N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3−)

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ChEBI Name N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3−)
ChEBI ID CHEBI:59458
ChEBI ASCII Name N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3-)
Definition Trianion of N-[(R)-4-phosphopantothenoyl]-L-cysteine arising from deprotonation of carboxylic acid and phosphate functions.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Rafael Alc´┐Żntara
Secondary ChEBI IDs CHEBI:57507
Supplier Information
Download Molfile XML SDF
Formula C12H20N2O9PS
Net Charge -3
Average Mass 399.33400
Monoisotopic Mass 399.063
InChI InChI=1S/C12H23N2O9PS/c1-12(2,6-23-24(20,21)22)9(16)10(17)13-4-3-8(15)14-7(5-25)11(18)19/h7,9,16,25H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)(H2,20,21,22)/p-3/t7-,9-/m0/s1
InChIKey XQYALQVLCNHCFT-CBAPKCEASA-K
SMILES CC(C)(COP([O-])([O-])=O)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C([O-])=O
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:4932) Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3−) (CHEBI:59458) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3−) (CHEBI:59458) has role human metabolite (CHEBI:77746)
N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3−) (CHEBI:59458) is a organophosphonate oxoanion (CHEBI:59635)
N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3−) (CHEBI:59458) is conjugate base of N-[(R)-4-phosphopantothenoyl]-L-cysteine (CHEBI:15769)
Incoming N-[(R)-4-phosphopantothenoyl]-L-cysteine (CHEBI:15769) is conjugate acid of N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3−) (CHEBI:59458)
IUPAC Names
N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate trianion
N-{N-[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonatooxybutanoyl]-β-alanyl}-L-cysteinate
Synonym Source
N-[(R)-4-phosphopantothenoyl]-L-cysteine UniProt
Last Modified
03 February 2016