S-acetylphosphopantotheine (CHEBI:28228)

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ChEBI Name	S-acetylphosphopantotheine

ChEBI ID	CHEBI:28228

ChEBI ASCII Name	S-acetylphosphopantotheine

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:8941, CHEBI:22030, CHEBI:12739

Supplier Information

Download	Molfile XML SDF

Formula

C13H25N2O8PS

Net Charge

Average Mass

400.38500

Monoisotopic Mass

400.10692

InChI

InChI=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)

InChIKey

AJFWMDFTVVFMHY-UHFFFAOYSA-N

SMILES

CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(O)=O

Roles Classification
Biological Role(s):	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). (via pantothenic acids ) 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. (via pantothenic acids )

ChEBI Ontology
Outgoing	S-acetylphosphopantotheine (CHEBI:28228) is a phosphopantetheine (CHEBI:26073) S-acetylphosphopantotheine (CHEBI:28228) is conjugate acid of S-acetylphosphopantotheine(2−) (CHEBI:58555)

Incoming	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-Acetylphosphopantetheine	KEGG COMPOUND

Registry Number	Type	Source
6784226	Beilstein Registry Number	Beilstein

Last Modified

19 October 2015