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CHEBI:61723 - D-pantetheine 4'-phosphate(2−)

ChEBI IDCHEBI:61723
ChEBI NameD-pantetheine 4'-phosphate(2−)
Stars
ASCII NameD-pantetheine 4'-phosphate(2-)
DefinitionPantetheine 4'-phosphate(2−) with D (R) configuration at the 2' position. The dianion formed from D-pantetheine 4'-phosphate by deprotonation of the phosphate group; major microspecies at pH 7.3.
Last Modified6 August 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC11H21N2O7PS
Net Charge-2
Average Mass356.337
Monoisotopic Mass356.08181
SMILESCC(C)(COP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCS
InChIInChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/p-2/t9-/m0/s1
InChIKeyJDMUPRLRUUMCTL-VIFPVBQESA-L
Roles Classification
Biological Roles:
prosthetic group  A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity.
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
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).
ChEBI Ontology
Outgoing Relation(s)
D-pantetheine 4'-phosphate(2−) (CHEBI:61723) has role prosthetic group (CHEBI:26348)
D-pantetheine 4'-phosphate(2−) (CHEBI:61723) is a pantetheine 4'-phosphate(2−) (CHEBI:47942)
D-pantetheine 4'-phosphate(2−) (CHEBI:61723) is conjugate base of D-pantetheine 4'-phosphate (CHEBI:4222)
Incoming Relation(s)
(R)-4'-phospho-S-sulfopantetheine(3−) (CHEBI:177302) has functional parent D-pantetheine 4'-phosphate(2−) (CHEBI:61723)
(R)-4'-phosphopantetheine sulfonate(3−) (CHEBI:177300) has functional parent D-pantetheine 4'-phosphate(2−) (CHEBI:61723)
D-pantetheine 4'-phosphate (CHEBI:4222) is conjugate acid of D-pantetheine 4'-phosphate(2−) (CHEBI:61723)
IUPAC Name 
N3-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]-N-(2-sulfanylethyl)-β-alaninamide
UniProt Name  Source
(R)-4'-phosphopantetheineUniProt
Manual XrefsDatabases
PANTETHEINE-PMetaCyc