EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:51785 - ATTO 425-4

ChEBI IDCHEBI:51785
ChEBI NameATTO 425-4
Stars
Last Modified19 December 2017
SubmitterInma Spiteri
DownloadsMolfile
FormulaC28H33N3O7
Net Charge0
Average Mass523.586
Monoisotopic Mass523.23185
SMILESCCOC(=O)c1cc2cc3c(cc2oc1=O)N(CCCC(=O)NCCN1C(=O)C=CC1=O)C(C)(C)CC3C
InChIInChI=1S/C28H33N3O7/c1-5-37-26(35)20-14-18-13-19-17(2)16-28(3,4)31(21(19)15-22(18)38-27(20)36)11-6-7-23(32)29-10-12-30-24(33)8-9-25(30)34/h8-9,13-15,17H,5-7,10-12,16H2,1-4H3,(H,29,32)
InChIKeyCUWXBTJMNRLPKT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ATTO 425-4 (CHEBI:51785) has functional parent ATTO 425-2 (CHEBI:51783)
ATTO 425-4 (CHEBI:51785) is a ethyl ester (CHEBI:23990)
ATTO 425-4 (CHEBI:51785) is a maleimides (CHEBI:55417)
ATTO 425-4 (CHEBI:51785) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name 
ethyl 9-(4-{[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]amino}-4-oxobutyl)-6,8,8-trimethyl-2-oxo-6,7,8,9-tetrahydro-2H-pyrano[3,2-g]quinoline-3-carboxylate
Synonym  Source
ATTO 425 maleimideChEBI