EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:230242 - 2-[[3-Cyclohexyl-1-[2-[3-(diaminomethylideneamino)propylcarbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]amino]acetic acid

ChEBI IDCHEBI:230242
ChEBI Name2-[[3-Cyclohexyl-1-[2-[3-(diaminomethylideneamino)propylcarbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]amino]acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H38N6O4
Net Charge0
Average Mass438.573
Monoisotopic Mass438.29545
SMILESNC(N)=NCCCNC(=O)C1CCCCN1C(=O)C(CC1CCCCC1)NCC(=O)O
InChIInChI=1S/C21H38N6O4/c22-21(23)25-11-6-10-24-19(30)17-9-4-5-12-27(17)20(31)16(26-14-18(28)29)13-15-7-2-1-3-8-15/h15-17,26H,1-14H2,(H,24,30)(H,28,29)(H4,22,23,25)
InChIKeyCDPROXZBMHOBTQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
2-[[3-Cyclohexyl-1-[2-[3-(diaminomethylideneamino)propylcarbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]amino]acetic acid (CHEBI:230242) is a amino acid amide (CHEBI:22475)
IUPAC Name 
2-[[3-cyclohexyl-1-[2-[3-(diaminomethylideneamino)propylcarbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]amino]acetic acid
Manual XrefsDatabases
HMDB0247862HMDB
3825358ChemSpider