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CHEBI:41703 - 2-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-5-OLATE

Default Structure
ChEBI IDCHEBI:41703
ChEBI Name2-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-5-OLATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC17H16N5O4
Net Charge-1
Average Mass354.346
Monoisotopic Mass354.12078
SMILES[H]OC(=O)C([H])([H])n1c([C@@]([H])(N([H])[H])C([H])([H])c2c([H])nc([H])n2[H])nc(C([H])=C2C([H])=C([H])C(=O)C([H])=C2[H])c1[O-]
InChIInChI=1S/C17H17N5O4/c18-13(6-11-7-19-9-20-11)16-21-14(17(26)22(16)8-15(24)25)5-10-1-3-12(23)4-2-10/h1-5,7,9,13,26H,6,8,18H2,(H,19,20)(H,24,25)/p-1/t13-/m0/s1
InChIKeyXQYFXZGKDDMSCJ-ZDUSSCGKSA-M
ChEBI Ontology
Outgoing Relation(s)
2-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-5-OLATE (CHEBI:41703) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-5-OLATEPDBeChem
2-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1-(carboxymethyl)-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1H-imidazol-5-olatePDBeChem
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