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CHEBI:182946 - 2-Hydroxy-2-[2-oxo-2-[[4-[(3-aminopropyl)amino]butyl]amino]ethyl]-2-[2-oxo-2-[[4-[[3-[(3,4-dihydroxybenzoyl)amino]propyl]amino]butyl]amino]ethyl]acetic acid

ChEBI IDCHEBI:182946
ChEBI Name2-Hydroxy-2-[2-oxo-2-[[4-[(3-aminopropyl)amino]butyl]amino]ethyl]-2-[2-oxo-2-[[4-[[3-[(3,4-dihydroxybenzoyl)amino]propyl]amino]butyl]amino]ethyl]acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46N6O8
Net Charge0
Average Mass582.699
Monoisotopic Mass582.33771
SMILESNCCCNCCCCNC(=O)CC(O)(CC(=O)NCCCCNCCCNC(=O)c1ccc(O)c(O)c1)C(=O)O
InChIInChI=1S/C27H46N6O8/c28-9-5-12-29-10-1-3-14-31-23(36)18-27(41,26(39)40)19-24(37)32-15-4-2-11-30-13-6-16-33-25(38)20-7-8-21(34)22(35)17-20/h7-8,17,29-30,34-35,41H,1-6,9-16,18-19,28H2,(H,31,36)(H,32,37)(H,33,38)(H,39,40)
InChIKeyWFTUITCRVHXYNE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-Hydroxy-2-[2-oxo-2-[[4-[(3-aminopropyl)amino]butyl]amino]ethyl]-2-[2-oxo-2-[[4-[[3-[(3,4-dihydroxybenzoyl)amino]propyl]amino]butyl]amino]ethyl]acetic acid (CHEBI:182946) is a benzamides (CHEBI:22702)
IUPAC Name 
2-[2-[4-(3-aminopropylamino)butylamino]-2-oxoethyl]-4-[4-[3-[(3,4-dihydroxybenzoyl)amino]propylamino]butylamino]-2-hydroxy-4-oxobutanoic acid
Manual XrefsDatabases
C22069KEGG COMPOUND