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CHEBI:64896 - O-(pantetheine-4'-phosphoryl)serine

Default Structure
ChEBI IDCHEBI:64896
ChEBI NameO-(pantetheine-4'-phosphoryl)serine
Stars
ASCII NameO-(pantetheine-4'-phosphoryl)serine
DefinitionA serine derivative in which L-serine is substituted on oxygen by a pantetheine 4'-phosphate group.
Last Modified25 November 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC14H28N3O9PS
Net Charge0
Average Mass445.431
Monoisotopic Mass445.12839
SMILESCC(C)(COP(=O)(O)OC[C@H](N)C(=O)O)[C@@H](O)C(=O)NCCC(=O)NCCS
InChIInChI=1S/C14H28N3O9PS/c1-14(2,8-26-27(23,24)25-7-9(15)13(21)22)11(19)12(20)17-4-3-10(18)16-5-6-28/h9,11,19,28H,3-8,15H2,1-2H3,(H,16,18)(H,17,20)(H,21,22)(H,23,24)/t9-,11-/m0/s1
InChIKeyJVRAFVIBQUUZKZ-ONGXEEELSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
O-(pantetheine-4'-phosphoryl)serine (CHEBI:64896) has part pantetheine 4'-phosphate group (CHEBI:47982)
O-(pantetheine-4'-phosphoryl)serine (CHEBI:64896) is a L-serine derivative (CHEBI:84135)
O-(pantetheine-4'-phosphoryl)serine (CHEBI:64896) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
Incoming Relation(s)
O-(S-acylpantetheine-4'-phosphoryl)serine (CHEBI:76242) has functional parent O-(pantetheine-4'-phosphoryl)serine (CHEBI:64896)
O-(pantetheine-4'-phosphoryl)serine residue (CHEBI:64891) is substituent group from O-(pantetheine-4'-phosphoryl)serine (CHEBI:64896)
IUPAC Name 
O-(hydroxy{[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl]oxy}phosphoryl)-L-serine
Synonym  Source
O-(pantetheine-4'-phosphoryl)-L-serineChEBI
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