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CHEBI:28228 - S-acetylphosphopantotheine

ChEBI IDCHEBI:28228
ChEBI NameS-acetylphosphopantotheine
Stars
ASCII NameS-acetylphosphopantotheine
Secondary ChEBI IDsCHEBI:8941, CHEBI:12739, CHEBI:22030
Last Modified19 October 2015
DownloadsMolfile
FormulaC13H25N2O8PS
Net Charge0
Average Mass400.390
Monoisotopic Mass400.10692
SMILESCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O
InChIInChI=1S/C13H25N2O8PS/c1-9(16)25-7-6-14-10(17)4-5-15-12(19)11(18)13(2,3)8-23-24(20,21)22/h11,18H,4-8H2,1-3H3,(H,14,17)(H,15,19)(H2,20,21,22)
InChIKeyAJFWMDFTVVFMHY-UHFFFAOYSA-N
Roles Classification
Biological Roles:
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.
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).
ChEBI Ontology
Outgoing Relation(s)
S-acetylphosphopantotheine (CHEBI:28228) is a phosphopantetheine (CHEBI:26073)
S-acetylphosphopantotheine (CHEBI:28228) is conjugate acid of S-acetylphosphopantotheine(2−) (CHEBI:58555)
Incoming Relation(s)
S-acetylphosphopantotheine(2−) (CHEBI:58555) is conjugate base of S-acetylphosphopantotheine (CHEBI:28228)
IUPAC Name 
S-[2-({N-[2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-β-alanyl}amino)ethyl] ethanethioate
Synonym  Source
S-AcetylphosphopantetheineKEGG COMPOUND
Manual XrefsDatabases
C03725KEGG COMPOUND
Registry NumbersSources
Beilstein:6784226Beilstein