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CHEBI:51786 - ATTO 425-7

ChEBI IDCHEBI:51786
ChEBI NameATTO 425-7
Stars
Last Modified2 March 2015
SubmitterInma Spiteri
DownloadsMolfile
FormulaC37H53N5O7S
Net Charge0
Average Mass711.926
Monoisotopic Mass711.36657
SMILESCCOC(=O)c1cc2cc3c(cc2oc1=O)N(CCCC(=O)NCCCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(C)(C)CC3C
InChIInChI=1S/C37H53N5O7S/c1-5-48-34(45)26-19-24-18-25-23(2)21-37(3,4)42(28(25)20-29(24)49-35(26)46)17-11-14-32(44)39-16-10-6-9-15-38-31(43)13-8-7-12-30-33-27(22-50-30)40-36(47)41-33/h18-20,23,27,30,33H,5-17,21-22H2,1-4H3,(H,38,43)(H,39,44)(H2,40,41,47)
InChIKeyLPVYZZMUDCZDQO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ATTO 425-7 (CHEBI:51786) has functional parent ATTO 425-2 (CHEBI:51783)
ATTO 425-7 (CHEBI:51786) is a ethyl ester (CHEBI:23990)
ATTO 425-7 (CHEBI:51786) is a thiabicycloalkane (CHEBI:38297)
IUPAC Name 
ethyl 6,8,8-trimethyl-2-oxo-9-{4-oxo-4-[(5-{[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}pentyl)amino]butyl}-6,7,8,9-tetrahydro-2H-pyrano[3,2-g]quinoline-3-carboxylate
Synonym  Source
ATTO 425 biotin derivativeChEBI