CHEBI:158966 - Arg-Gly-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-Gly-Asp
ChEBI ID CHEBI:158966
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H22N6O6
Net Charge 0
Average Mass 346.344
Monoisotopic Mass 346.16008
InChI InChI=1S/C12H22N6O6/c13-6(2-1-3-16-12(14)15)10(22)17-5-8(19)18-7(11(23)24)4-9(20)21/h6-7H,1-5,13H2,(H,17,22)(H,18,19)(H,20,21)(H,23,24)(H4,14,15,16)/t6-,7-/m0/s1
InChIKey IYMAXBFPHPZYIK-BQBZGAKWSA-N
SMILES O=C(NCC(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H](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-Gly-Asp (CHEBI:158966) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]butanedioic acid
Manual Xref Database
94603 ChemSpider
View more database links
Registry Number Type Source
99896-85-2 CAS Registry Number ChemIDplus