CHEBI:161058 - Asp-Val-Thr

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ChEBI Name Asp-Val-Thr
ChEBI ID CHEBI:161058
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H23N3O7
Net Charge 0
Average Mass 333.341
Monoisotopic Mass 333.15360
InChI InChI=1S/C13H23N3O7/c1-5(2)9(15-11(20)7(14)4-8(18)19)12(21)16-10(6(3)17)13(22)23/h5-7,9-10,17H,4,14H2,1-3H3,(H,15,20)(H,16,21)(H,18,19)(H,22,23)/t6-,7+,9+,10+/m1/s1
InChIKey RKXVTTIQNKPCHU-KKHAAJSZSA-N
SMILES O=C(N[C@@H]([C@H](O)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(C)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 )
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ChEBI Ontology
Outgoing Asp-Val-Thr (CHEBI:161058) is a oligopeptide (CHEBI:25676)
IUPAC Name
(3S)-3-amino-4-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid