EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:51814 - ATTO 520-4

ChEBI IDCHEBI:51814
ChEBI NameATTO 520-4
Stars
Last Modified6 March 2012
SubmitterInma Spiteri
DownloadsMolfile
FormulaC28H33N4O4.ClO4
Net Charge0
Average Mass589.045
Monoisotopic Mass588.19869
SMILESCCNc1cc2oc3c/c(=[NH+]/CC)c(C)cc-3c(CCC(=O)NCCN3C(=O)C=CC3=O)c2cc1C.O=Cl(=O)(=O)[O-]
InChIInChI=1S/C28H32N4O4.ClHO4/c1-5-29-22-15-24-20(13-17(22)3)19(21-14-18(4)23(30-6-2)16-25(21)36-24)7-8-26(33)31-11-12-32-27(34)9-10-28(32)35;2-1(3,4)5/h9-10,13-16,29H,5-8,11-12H2,1-4H3,(H,31,33);(H,2,3,4,5)/b30-23-;
InChIKeyDGEQWOHLXNEPEL-KZJPCHATSA-N
ChEBI Ontology
Outgoing Relation(s)
ATTO 520-4 (CHEBI:51814) has functional parent ATTO 520-2 (CHEBI:51812)
ATTO 520-4 (CHEBI:51814) is a dicarboximide (CHEBI:35356)
IUPAC Name 
N-[9-(3-{[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]amino}-3-oxopropyl)-6-(ethylamino)-2,7-dimethyl-3H-xanthen-3-ylidene]ethanaminium perchlorate
Synonym  Source
ATTO 520 maleimideChEBI