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CHEBI:132976 - S-malonyl-4'-phosphopantetheine

ChEBI IDCHEBI:132976
ChEBI NameS-malonyl-4'-phosphopantetheine
Stars
ASCII NameS-malonyl-4'-phosphopantetheine
DefinitionAn S-acyl-4'-phosphopantetheine obtained by formal condensation of the thiol group of D-pantetheine 4'-phosphate with one of the carboxy groups of malonic acid.
Last Modified7 November 2016
SubmitterBijay
DownloadsMolfile
FormulaC14H25N2O10PS
Net Charge0
Average Mass444.399
Monoisotopic Mass444.09675
SMILESCC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)O
InChIInChI=1S/C14H25N2O10PS/c1-14(2,8-26-27(23,24)25)12(21)13(22)16-4-3-9(17)15-5-6-28-11(20)7-10(18)19/h12,21H,3-8H2,1-2H3,(H,15,17)(H,16,22)(H,18,19)(H2,23,24,25)/t12-/m0/s1
InChIKeyRNFWAFOKCVKQGB-LBPRGKRZSA-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-malonyl-4'-phosphopantetheine (CHEBI:132976) has functional parent malonic acid (CHEBI:30794)
S-malonyl-4'-phosphopantetheine (CHEBI:132976) is a S-acyl-4'-phosphopantetheine (CHEBI:132310)
IUPAC Name 
3-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-β-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid
Synonyms  Source
S-malonylphosphopantetheineChEBI
S-malonyl-D-phosphopantetheine 4'-phosphateChEBI
malonyl-4'-phosphopantetheineChEBI
malonylphosphopantetheineChEBI
Citations