CHEBI:190272 - N-[(1S)-4-Carbamimidamido-1-carboxybutyl]asparaginyl-Beta-aspartyl-L-arginine

ChEBI IDCHEBI:190272
ChEBI NameN-[(1S)-4-Carbamimidamido-1-carboxybutyl]asparaginyl-Beta-aspartyl-L-arginine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H36N10O9
Net Charge0
Average Mass560.569
Monoisotopic Mass560.26667
SMILESNC(N)=NCCC[C@H](NC(=O)CC(N)C(=O)NC(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C20H36N10O9/c21-9(7-13(31)28-10(16(34)35)3-1-5-26-19(22)23)15(33)30-12(18(38)39)8-14(32)29-11(17(36)37)4-2-6-27-20(24)25/h9-12H,1-8,21H2,(H,28,31)(H,29,32)(H,30,33)(H,34,35)(H,36,37)(H,38,39)(H4,22,23,26)(H4,24,25,27)/t9?,10-,11-,12?/m0/s1
InChIKeySXOIPUPAVHJORB-YECOWLKZSA-N
Species of MetaboliteComponentSourceComments
Synechococcus elongatus PCC 7942 (ncbitaxon:32046) cell culture (BTO:0000214) MetaboLights (MTBLS2825)
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]asparaginyl-Beta-aspartyl-L-arginine (CHEBI:190272) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[3-amino-4-[[1-carboxy-3-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-3-oxopropyl]amino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Manual XrefsDatabases
C19713KEGG COMPOUND
30790934ChemSpider