OntologieschebiclassesCHEBI:132309   
JSON document
S-butyryl-4'-phosphopantetheine
http://purl.obolibrary.org/obo/CHEBI_132309

An S-acyl-4'-phosphopantetheine obtained by formal condensation of the thiol group of D-pantetheine 4'-phosphate with the carboxy group of butyric acid.

Also appears inmicroslmgo
Exact Synonyms
S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] butanethioate
Related Synonyms
butanoyl-4'-phosphopantetheine
butyryl-4'-phosphopantetheine
S-butanoyl-4'-phosphopantetheine
S-butanoyl-D-pantetheine 4'-phosphate
S-butyryl-D-pantetheine 4'-phosphate
class Information
charge

0

formula

C15H29N2O8PS

has_dbxref

PMID:18799520

has_obo_namespace

chebi_ontology

inchikey

PZIQDUSGQUZEBS-ZDUSSCGKSA-N

inchi

InChI=1S/C15H29N2O8PS/c1-4-5-12(19)27-9-8-16-11(18)6-7-17-14(21)13(20)15(2,3)10-25-26(22,23)24/h13,20H,4-10H2,1-3H3,(H,16,18)(H,17,21)(H2,22,23,24)/t13-/m0/s1

in_subset

3_STAR

mass

428.440

monoisotopicmass

428.13822

smiles

C(NC(CCNC(=O)[C@@H](C(COP(O)(=O)O)(C)C)O)=O)CSC(=O)CCC

class Relations