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CHEBI:160955 - Asp-Trp-Cys

Default Structure
ChEBI IDCHEBI:160955
ChEBI NameAsp-Trp-Cys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22N4O6S
Net Charge0
Average Mass422.463
Monoisotopic Mass422.12601
SMILESN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C18H22N4O6S/c19-11(6-15(23)24)16(25)21-13(17(26)22-14(8-29)18(27)28)5-9-7-20-12-4-2-1-3-10(9)12/h1-4,7,11,13-14,20,29H,5-6,8,19H2,(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t11-,13-,14-/m0/s1
InChIKeyRMFITHMDQGFSDC-UBHSHLNASA-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)
Asp-Trp-Cys (CHEBI:160955) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1R)-1-carboxy-2-sulanylethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid