EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:52745 - 5-(N-hexadecanoyl)aminofluorescin

ChEBI IDCHEBI:52745
ChEBI Name5-(N-hexadecanoyl)aminofluorescin
Stars
ASCII Name5-(N-hexadecanoyl)aminofluorescin
DefinitionA fluorescin compound having a hexadecanoylamino substituent at the 5-position.
Last Modified14 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC36H43NO6
Net Charge0
Average Mass585.741
Monoisotopic Mass585.30904
SMILESCCCCCCCCCCCCCCCC(=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1
InChIInChI=1S/C36H43NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-34(40)37-25-16-19-28(31(22-25)36(41)42)35-29-20-17-26(38)23-32(29)43-33-24-27(39)18-21-30(33)35/h16-24,38H,2-15H2,1H3,(H,37,40)(H,41,42)
InChIKeyNIOAQWNBYGPMHJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
5-(N-hexadecanoyl)aminofluorescin (CHEBI:52745) has functional parent fluorescin (CHEBI:42492)
5-(N-hexadecanoyl)aminofluorescin (CHEBI:52745) has role fluorochrome (CHEBI:51217)
5-(N-hexadecanoyl)aminofluorescin (CHEBI:52745) is a amidobenzoic acid (CHEBI:48470)
5-(N-hexadecanoyl)aminofluorescin (CHEBI:52745) is a xanthene dye (CHEBI:37929)
IUPAC Name 
5-(hexadecanoylamino)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
Synonym  Source
hafChEBI
Registry NumbersSources
Beilstein:6551409Beilstein