CHEBI:160387 - Asp-Asn-Ser

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Asp-Asn-Ser
ChEBI ID CHEBI:160387
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H18N4O8
Net Charge 0
Average Mass 334.285
Monoisotopic Mass 334.11246
InChI InChI=1S/C11H18N4O8/c12-4(1-8(18)19)9(20)14-5(2-7(13)17)10(21)15-6(3-16)11(22)23/h4-6,16H,1-3,12H2,(H2,13,17)(H,14,20)(H,15,21)(H,18,19)(H,22,23)/t4-,5-,6-/m0/s1
InChIKey KNMRXHIAVXHCLW-ZLUOBGJFSA-N
SMILES O=C(N[C@@H](CO)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)CC(=O)N
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-Asn-Ser (CHEBI:160387) is a peptide (CHEBI:16670)
IUPAC Name
(3S)-3-amino-4-[[(2S)-4-amino-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid