Send us a Message



Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   

CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:NIR-2 dye
go back to main search page
Accession:CHEBI:52176 term browser browse the term
Definition:An organic potassium salt that has formula C36H38K2N2O11S3.
Synonyms:exact_synonym: dipotassium 2-{5-[5-carboxy-3,3-dimethyl-1-(4-sulfonatobutyl)-1,3-dihydro-2H-indol-2-ylidene]penta-1,3-dien-1-yl}-3-ethyl-1,1-dimethyl-1H-benzo[e]indolium-6,8-disulfonate;   dipotassium 2-{5-[5-carboxy-3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indolium-2-yl]penta-2,4-dien-1-ylidene}-3-ethyl-1,1-dimethyl-2,3-dihydro-1H-benzo[e]indole-6,8-disulfonate
 related_synonym: Formula=C36H38K2N2O11S3;   InChI=1S/C36H40N2O11S3.2K/c1-6-37-29-17-15-25-26(21-24(51(44,45)46)22-30(25)52(47,48)49)33(29)36(4,5)32(37)13-9-7-8-12-31-35(2,3)27-20-23(34(39)40)14-16-28(27)38(31)18-10-11-19-50(41,42)43;;/h7-9,12-17,20-22H,6,10-11,18-19H2,1-5H3,(H3-,39,40,41,42,43,44,45,46,47,48,49);;/q;2*+1/p-2;   InChIKey=AUQMGYLQQPSCNH-UHFFFAOYSA-L;   NIR2;   Near infrared 2;   Near infrared cromophore 2;   SMILES=[K+].[K+].[H]C(C=C([H])C1=[N+](CC)c2ccc3c(cc(cc3c2C1(C)C)S([O-])(=O)=O)S([O-])(=O)=O)=CC([H])=C1N(CCCCS([O-])(=O)=O)c2ccc(cc2C1(C)C)C(O)=O
 xref: Patent:WO03082988



show annotations for term's descendants           Sort by:

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 22188
    role 22173
      application 21755
        dye 2967
          cyanine dye 11
            NIR-2 dye 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22188
    subatomic particle 22180
      composite particle 22180
        hadron 22180
          baryon 22180
            nucleon 22180
              atomic nucleus 22180
                atom 22180
                  main group element atom 22114
                    p-block element atom 22114
                      chalcogen 21436
                        oxygen atom 21414
                          oxygen molecular entity 21414
                            oxide 13383
                              oxoanion 10751
                                chalcogen oxoanion 667
                                  sulfur oxoanion 665
                                    sulfonate 115
                                      organosulfonate oxoanion 115
                                        NIR-2(2-) 0
                                          NIR-2 dye 0
paths to the root