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CHEBI:201091 - Cyclic-(Tyr-Ala-Leu-Ser)

ChEBI IDCHEBI:201091
ChEBI NameCyclic-(Tyr-Ala-Leu-Ser)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30N4O6
Net Charge0
Average Mass434.493
Monoisotopic Mass434.21653
SMILESCC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CO)NC1=O
InChIInChI=1S/C21H30N4O6/c1-11(2)8-15-20(30)25-17(10-26)21(31)24-16(9-13-4-6-14(27)7-5-13)19(29)22-12(3)18(28)23-15/h4-7,11-12,15-17,26-27H,8-10H2,1-3H3,(H,22,29)(H,23,28)(H,24,31)(H,25,30)/t12-,15-,16-,17-/m1/s1
InChIKeyLJRJAZMYNGHLGX-BASLNEPJSA-N
Species of MetaboliteComponentSourceComments
Brevibacterium (ncbitaxon:1696) - PubMed (26214049)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cyclic-(Tyr-Ala-Leu-Ser) (CHEBI:201091) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3R,6R,9R,12R)-3-(hydroxymethyl)-12-[(4-hydroxyphenyl)methyl]-9-methyl-6-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
Manual XrefsDatabases
58196412ChemSpider