CHEBI:16858 - pantetheine 4'-phosphate

ChEBI IDCHEBI:16858
ChEBI Namepantetheine 4'-phosphate
Stars
Secondary ChEBI IDsCHEBI:7914, CHEBI:11916, CHEBI:14735, CHEBI:14736, CHEBI:14738, CHEBI:14825, CHEBI:25844, CHEBI:29890
Last Modified25 July 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H23N2O7PS
Net Charge0
Average Mass358.353
Monoisotopic Mass358.09636
SMILESCC(C)(COP(=O)(O)O)C(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)
InChIKeyJDMUPRLRUUMCTL-UHFFFAOYSA-N
Roles Classification
Biological Roles:
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).
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).
water-soluble vitamin (role)  Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine.
ChEBI Ontology
Outgoing Relation(s)
pantetheine 4'-phosphate (CHEBI:16858) has role cofactor (CHEBI:23357)
pantetheine 4'-phosphate (CHEBI:16858) is a phosphopantetheine (CHEBI:26073)
pantetheine 4'-phosphate (CHEBI:16858) is a thiol (CHEBI:29256)
pantetheine 4'-phosphate (CHEBI:16858) is conjugate acid of pantetheine 4'-phosphate(2−) (CHEBI:47942)
Incoming Relation(s)
D-pantetheine 4'-phosphate (CHEBI:4222) is a pantetheine 4'-phosphate (CHEBI:16858)
pantetheine 4'-phosphate(2−) (CHEBI:47942) is conjugate base of pantetheine 4'-phosphate (CHEBI:16858)
IUPAC Name 
N3-[2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-β-alaninamide
Synonyms  Source
Pantetheine 4'-phosphateKEGG COMPOUND
4'-PhosphopantetheineKEGG COMPOUND
PhosphopantetheineKEGG COMPOUND
pantotheine-4'-phosphateUM-BBD
Psh-4'-PChemIDplus
Manual XrefsDatabases
C01134KEGG COMPOUND
DB03912DrugBank
Registry NumbersSources
CAS:2226-71-3ChemIDplus