EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:51800 - ATTO 465-7

ChEBI IDCHEBI:51800
ChEBI NameATTO 465-7
Stars
Last Modified10 February 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC32H44N7O3S.ClO4
Net Charge0
Average Mass706.266
Monoisotopic Mass705.27115
SMILESNc1ccc2cc3ccc(N)cc3[n+](CCCC(=O)NCCCCCNC(=O)CCCCC3SCC4NC(=O)NC43)c2c1.O=Cl(=O)(=O)[O-]
InChIInChI=1S/C32H43N7O3S.ClHO4/c33-23-12-10-21-17-22-11-13-24(34)19-27(22)39(26(21)18-23)16-6-9-30(41)36-15-5-1-4-14-35-29(40)8-3-2-7-28-31-25(20-43-28)37-32(42)38-31;2-1(3,4)5/h10-13,17-19,25,28,31H,1-9,14-16,20H2,(H7,33,34,35,36,37,38,40,41,42);(H,2,3,4,5)
InChIKeyGXUJJJQIZZVGTJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ATTO 465-7 (CHEBI:51800) has functional parent ATTO 465-2 (CHEBI:51787)
ATTO 465-7 (CHEBI:51800) is a thiabicycloalkane (CHEBI:38297)
IUPAC Name 
3,6-diamino-10-{4-oxo-4-[(5-{[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}pentyl)amino]butyl}acridinium perchlorate
Synonym  Source
ATTO 465 biotin derivativeChEBI