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CHEBI:61781 - tripalmitoyl-S-glyceryl-cysteinyl-seryl-serine

ChEBI IDCHEBI:61781
ChEBI Nametripalmitoyl-S-glyceryl-cysteinyl-seryl-serine
Stars
ASCII Nametripalmitoyl-S-glyceryl-cysteinyl-seryl-serine
DefinitionA triacyl lipopeptide consisting of the tripeptide L-cysteinyl-L-seryl-L-serine with the cysteinyl residue carrying N-palmitoyl and S-2,3-bis(palmitoyloxy)propyl groups.
Last Modified5 April 2011
SubmitterSteve
DownloadsMolfile
FormulaC60H113N3O11S
Net Charge0
Average Mass1084.641
Monoisotopic Mass1083.80958
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C60H113N3O11S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-55(66)61-54(59(70)62-52(46-64)58(69)63-53(47-65)60(71)72)50-75-49-51(74-57(68)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)48-73-56(67)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h51-54,64-65H,4-50H2,1-3H3,(H,61,66)(H,62,70)(H,63,69)(H,71,72)/t51?,52-,53-,54-/m0/s1
InChIKeyXVQKZSLOGHBCET-INVHGPFASA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
tripalmitoyl-S-glyceryl-cysteinyl-seryl-serine (CHEBI:61781) is a triacyl lipopeptide (CHEBI:60192)
IUPAC Name 
S-[2,3-bis(hexadecanoyloxy)propyl]-N-hexadecanoyl-L-cysteinyl-L-seryl-L-serine
Synonyms  Source
P3CSSChEBI
tripalmitoyl-S-glyceryl-Cys-Ser-SerChEBI
N-palmitoyl-S-[2,3-bis(palmitoyloxy)propyl]-cysteinyl-seryl-serineChEBI
N-Palmitoyl-5,6-dipalmitoyl-S-glycerylcysteinyl-seryl-serineChemIDplus
S-[2,3-bis(palmitoyloxy)propyl]-N-palmitoyl-L-cysteinyl-L-seryl-L-serineChEBI
Registry NumbersSources
Reaxys:15383379Reaxys
CAS:98633-82-0ChemIDplus
Citations