[(4Z)-2-[(1S)-1,3-DIAMINO-3-OXOPROPYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID (CHEBI:49780)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:49780 - [(4Z)-2-[(1S)-1,3-DIAMINO-3-OXOPROPYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:49780
ChEBI Name	[(4Z)-2-[(1S)-1,3-DIAMINO-3-OXOPROPYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
Stars
Downloads	Molfile

Formula	C15H16N4O5
Net Charge	0
Average Mass	332.316
Monoisotopic Mass	332.11207
SMILES	[H]OC(=O)C([H])([H])N1C(=O)/C(=C(\[H])c2c([H])c([H])c(O[H])c([H])c2[H])N=C1[C@@]([H])(N([H])[H])C([H])([H])C(=O)N([H])[H]
InChI	InChI=1S/C15H16N4O5/c16-10(6-12(17)21)14-18-11(15(24)19(14)7-13(22)23)5-8-1-3-9(20)4-2-8/h1-5,10,20H,6-7,16H2,(H2,17,21)(H,22,23)/b11-5-/t10-/m0/s1
InChIKey	PASGKYDMGFODGK-QIMWGGGBSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(4Z)-2-[(1S)-1,3-DIAMINO-3-OXOPROPYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID (CHEBI:49780) is a unclassifieds (CHEBI:27189)

Synonyms	Source
[(4Z)-2-[(1S)-1,3-DIAMINO-3-OXOPROPYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID	PDBeChem
{(4Z)-2-[(1S)-1,3-diamino-3-oxopropyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid	PDBeChem

Manual Xrefs	Databases
NYG	PDBeChem