CHEBI:158727 - Arg-Arg-Asp

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 Arg-Arg-Asp
ChEBI ID CHEBI:158727
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H31N9O6
Net Charge 0
Average Mass 445.481
Monoisotopic Mass 445.23973
InChI InChI=1S/C16H31N9O6/c17-8(3-1-5-22-15(18)19)12(28)24-9(4-2-6-23-16(20)21)13(29)25-10(14(30)31)7-11(26)27/h8-10H,1-7,17H2,(H,24,28)(H,25,29)(H,26,27)(H,30,31)(H4,18,19,22)(H4,20,21,23)/t8-,9-,10-/m0/s1
InChIKey BIOCIVSVEDFKDJ-GUBZILKMSA-N
SMILES O=C(N[C@@H](CC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)CCCN=C(N)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Arg-Arg-Asp (CHEBI:158727) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]butanedioic acid