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CHEBI:189233 - His-Leu-Asp-Ile-Ile-Trp

ChEBI IDCHEBI:189233
ChEBI NameHis-Leu-Asp-Ile-Ile-Trp
Stars
Last Modified21 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H57N9O9
Net Charge0
Average Mass795.939
Monoisotopic Mass795.42792
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1cncn1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O)[C@@H](C)CC
InChIInChI=1S/C39H57N9O9/c1-7-21(5)32(37(54)46-30(39(56)57)14-23-17-42-27-12-10-9-11-25(23)27)48-38(55)33(22(6)8-2)47-36(53)29(16-31(49)50)45-35(52)28(13-20(3)4)44-34(51)26(40)15-24-18-41-19-43-24/h9-12,17-22,26,28-30,32-33,42H,7-8,13-16,40H2,1-6H3,(H,41,43)(H,44,51)(H,45,52)(H,46,54)(H,47,53)(H,48,55)(H,49,50)(H,56,57)/t21-,22-,26-,28-,29-,30-,32-,33-/m0/s1
InChIKeyNTSBFTNRWQVBCA-IVGDYKFASA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
His-Leu-Asp-Ile-Ile-Trp (CHEBI:189233) is a hexapeptide (CHEBI:233722)
IUPAC Name 
(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
114628ChemSpider
Registry NumbersSources
CAS:121377-67-1ChemIDplus