CHEBI:160421 - Asp-Asp-Met

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ChEBI Name Asp-Asp-Met
ChEBI ID CHEBI:160421
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H21N3O8S
Net Charge 0
Average Mass 379.380
Monoisotopic Mass 379.10494
InChI InChI=1S/C13H21N3O8S/c1-25-3-2-7(13(23)24)15-12(22)8(5-10(19)20)16-11(21)6(14)4-9(17)18/h6-8H,2-5,14H2,1H3,(H,15,22)(H,16,21)(H,17,18)(H,19,20)(H,23,24)/t6-,7-,8-/m0/s1
InChIKey VHWNKSJHQFZJTH-FXQIFTODSA-N
SMILES S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)CC(O)=O)C(O)=O)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Asp-Asp-Met (CHEBI:160421) is a peptide (CHEBI:16670)
IUPAC Name
(3S)-3-amino-4-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-3-methylsulanylpropyl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid