CHEBI:18416 - N-[(R)-pantothenoyl]-L-cysteine

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ChEBI Name N-[(R)-pantothenoyl]-L-cysteine
ChEBI ID CHEBI:18416
ChEBI ASCII Name N-[(R)-pantothenoyl]-L-cysteine
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:7081, CHEBI:12439, CHEBI:21462, CHEBI:21463
Supplier Information
Download Molfile XML SDF
Formula C12H22N2O6S
Net Charge 0
Average Mass 322.37896
Monoisotopic Mass 322.11986
InChI InChI=1S/C12H22N2O6S/c1-12(2,6-15)9(17)10(18)13-4-3-8(16)14-7(5-21)11(19)20/h7,9,15,17,21H,3-6H2,1-2H3,(H,13,18)(H,14,16)(H,19,20)/t7-,9-/m0/s1
InChIKey QSYCTARXWYLMOF-CBAPKCEASA-N
SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-[(R)-pantothenoyl]-L-cysteine (CHEBI:18416) has role mouse metabolite (CHEBI:75771)
N-[(R)-pantothenoyl]-L-cysteine (CHEBI:18416) is a L-cysteine derivative (CHEBI:83824)
N-[(R)-pantothenoyl]-L-cysteine (CHEBI:18416) is conjugate acid of N-[(R)-pantothenoyl]-L-cysteinate (CHEBI:58480)
Incoming N-[(R)-4-phosphopantothenoyl]-L-cysteine (CHEBI:15769) has functional parent N-[(R)-pantothenoyl]-L-cysteine (CHEBI:18416)
N-[(R)-pantothenoyl]-L-cysteinate (CHEBI:58480) is conjugate base of N-[(R)-pantothenoyl]-L-cysteine (CHEBI:18416)
IUPAC Name
N-{N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-β-alanyl}-L-cysteine
Synonyms Sources
D-Pantothenoyl-L-cysteine KEGG COMPOUND
N-((R)-Pantothenoyl)-L-cysteine KEGG COMPOUND
Manual Xref Database
C04079 KEGG COMPOUND
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Last Modified
27 January 2016