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CHEBI:15769 - N-[(R)-4-phosphopantothenoyl]-L-cysteine
| Formula | C12H23N2O9PS |
| Net Charge | 0 |
| Average Mass | 402.362 |
| Monoisotopic Mass | 402.08619 |
| SMILES | CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(=O)O |
| 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)/t7-,9-/m0/s1 |
| InChIKey | XQYALQVLCNHCFT-CBAPKCEASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Biological Roles: | 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) |
| N-[(R)-4-phosphopantothenoyl]-L-cysteine (CHEBI:15769) has functional parent N-[(R)-pantothenoyl]-L-cysteine (CHEBI:18416) |
| N-[(R)-4-phosphopantothenoyl]-L-cysteine (CHEBI:15769) has functional parent phosphonic acid (CHEBI:44976) |
| N-[(R)-4-phosphopantothenoyl]-L-cysteine (CHEBI:15769) has role Escherichia coli metabolite (CHEBI:76971) |
| N-[(R)-4-phosphopantothenoyl]-L-cysteine (CHEBI:15769) has role mouse metabolite (CHEBI:75771) |
| N-[(R)-4-phosphopantothenoyl]-L-cysteine (CHEBI:15769) is a L-cysteine derivative (CHEBI:83824) |
| N-[(R)-4-phosphopantothenoyl]-L-cysteine (CHEBI:15769) is conjugate acid of N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3−) (CHEBI:59458) |
| Incoming Relation(s) |
| N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3−) (CHEBI:59458) is conjugate base of N-[(R)-4-phosphopantothenoyl]-L-cysteine (CHEBI:15769) |
| IUPAC Name |
|---|
| N-{N-[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]-β-alanyl}-L-cysteine |
| Synonyms | Source |
|---|---|
| N-((R)-4'-phosphopantothenoyl)-L-cysteine | ChEBI |
| N-[(R)-4'-Phosphopantothenoyl]-L-cysteine | KEGG COMPOUND |
| (R)-4'-Phosphopantothenoyl-L-cysteine | KEGG COMPOUND |