CHEBI:159876 - Asn-Leu-Arg

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Asn-Leu-Arg
ChEBI ID CHEBI:159876
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H31N7O5
Net Charge 0
Average Mass 401.468
Monoisotopic Mass 401.23867
InChI InChI=1S/C16H31N7O5/c1-8(2)6-11(23-13(25)9(17)7-12(18)24)14(26)22-10(15(27)28)4-3-5-21-16(19)20/h8-11H,3-7,17H2,1-2H3,(H2,18,24)(H,22,26)(H,23,25)(H,27,28)(H4,19,20,21)/t9-,10-,11-/m0/s1
InChIKey NLRJGXZWTKXRHP-DCAQKATOSA-N
SMILES O=C(N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(=O)N)CC(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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Asn-Leu-Arg (CHEBI:159876) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]pentanoic acid
Manual Xref Database
16569367 ChemSpider
View more database links