CHEBI:177545 - N-[(1S)-4-Carbamimidamido-1-carboxybutyl]asparaginylaspartic acid

ChEBI IDCHEBI:177545
ChEBI NameN-[(1S)-4-Carbamimidamido-1-carboxybutyl]asparaginylaspartic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H24N6O8
Net Charge0
Average Mass404.380
Monoisotopic Mass404.16556
SMILESNC(N)=NCCC[C@H](NC(=O)CC(N)C(=O)NC(CC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C14H24N6O8/c15-6(11(24)20-8(13(27)28)5-10(22)23)4-9(21)19-7(12(25)26)2-1-3-18-14(16)17/h6-8H,1-5,15H2,(H,19,21)(H,20,24)(H,22,23)(H,25,26)(H,27,28)(H4,16,17,18)/t6?,7-,8?/m0/s1
InChIKeyHPTRHRAOOWNICW-WTIBDHCWSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-[(1S)-4-Carbamimidamido-1-carboxybutyl]asparaginylaspartic acid (CHEBI:177545) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-amino-4-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-4-oxobutanoyl]amino]butanedioic acid
Manual XrefsDatabases
C19710KEGG COMPOUND
30790935ChemSpider