CHEBI:159376 - Arg-Trp-Ile

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-Trp-Ile
ChEBI ID CHEBI:159376
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H35N7O4
Net Charge 0
Average Mass 473.578
Monoisotopic Mass 473.27505
InChI InChI=1S/C23H35N7O4/c1-3-13(2)19(22(33)34)30-21(32)18(11-14-12-28-17-9-5-4-7-15(14)17)29-20(31)16(24)8-6-10-27-23(25)26/h4-5,7,9,12-13,16,18-19,28H,3,6,8,10-11,24H2,1-2H3,(H,29,31)(H,30,32)(H,33,34)(H4,25,26,27)/t13-,16-,18-,19-/m0/s1
InChIKey POZKLUIXMHIULG-FDARSICLSA-N
SMILES O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Arg-Trp-Ile (CHEBI:159376) is a peptide (CHEBI:16670)
IUPAC Name
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid