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CHEBI:52291 - texas red DHPE

ChEBI IDCHEBI:52291
ChEBI Nametexas red DHPE
Stars
Last Modified5 August 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC68H101N3O14PS2.C6H16N
Net Charge0
Average Mass1381.872
Monoisotopic Mass1380.77453
SMILESCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNS(=O)(=O)c1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)c(S(=O)(=O)[O-])c1)OC(=O)CCCCCCCCCCCCCCC.CC[NH+](CC)CC
InChIInChI=1S/C68H102N3O14PS2.C6H15N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-37-62(72)81-50-54(84-63(73)38-28-26-24-22-20-18-16-14-12-10-8-6-4-2)51-83-86(74,75)82-46-41-69-87(76,77)55-39-40-56(61(49-55)88(78,79)80)64-59-47-52-33-29-42-70-44-31-35-57(65(52)70)67(59)85-68-58-36-32-45-71-43-30-34-53(66(58)71)48-60(64)68;1-4-7(5-2)6-3/h39-40,47-49,54,69H,3-38,41-46,50-51H2,1-2H3,(H-,74,75,78,79,80);4-6H2,1-3H3
InChIKeyDLENCXDZIZEKQI-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
texas red DHPE (CHEBI:52291) has part texas red DHPE(1−) (CHEBI:52923)
texas red DHPE (CHEBI:52291) has role fluorochrome (CHEBI:51217)
texas red DHPE (CHEBI:52291) is a organic heteroheptacyclic compound (CHEBI:52157)
texas red DHPE (CHEBI:52291) is a organoammonium salt (CHEBI:46850)
IUPAC Name 
N,N-diethylethanaminium 5-({[7-(hexadecanoyloxy)-4,4-dioxido-10-oxo-3,5,9-trioxa-4-phosphapentacos-1-yl]amino}sulfonyl)-2-(2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)benzenesulfonate
Synonym  Source
Texas Red 1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine, triethylammonium saltChEBI