CHEBI:158565 - Ala-Trp-Asn

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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 Ala-Trp-Asn
ChEBI ID CHEBI:158565
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H23N5O5
Net Charge 0
Average Mass 389.412
Monoisotopic Mass 389.16992
InChI InChI=1S/C18H23N5O5/c1-9(19)16(25)22-13(17(26)23-14(18(27)28)7-15(20)24)6-10-8-21-12-5-3-2-4-11(10)12/h2-5,8-9,13-14,21H,6-7,19H2,1H3,(H2,20,24)(H,22,25)(H,23,26)(H,27,28)/t9-,13-,14-/m0/s1
InChIKey XMIAMUXIMWREBJ-HERUPUMHSA-N
SMILES O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)C)CC=1C=2C(NC1)=CC=CC2
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 Ala-Trp-Asn (CHEBI:158565) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoic acid