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CHEBI:158086 - Ala-Cys-Trp

ChEBI IDCHEBI:158086
ChEBI NameAla-Cys-Trp
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Last Modified20 March 2025
SubmitterMetaboLights
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FormulaC17H22N4O4S
Net Charge0
Average Mass378.454
Monoisotopic Mass378.13618
SMILESC[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C17H22N4O4S/c1-9(18)15(22)21-14(8-26)16(23)20-13(17(24)25)6-10-7-19-12-5-3-2-4-11(10)12/h2-5,7,9,13-14,19,26H,6,8,18H2,1H3,(H,20,23)(H,21,22)(H,24,25)/t9-,13-,14-/m0/s1
InChIKeyZRGNRZLDMUACOW-HERUPUMHSA-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)
Ala-Cys-Trp (CHEBI:158086) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-sulanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid