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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:temoporfin
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Accession:CHEBI:9437 term browser browse the term
Definition:A chlorin that has formula C44H32N4O4.
Synonyms:related_synonym: 2,3-dihydro-5,10,15,20-tetra(m-hydroxyphenyl)porphyrin;   3,3',3'',3'''-(2,3-dihydroporphyrin-5,10,15,20-tetrayl)tetraphenol;   3,3',3'',3'''-(7,8-dihydro-21H,23H-porphine-5,10,15,20-tetrayl)tetrakisphenol;   3,3',3'',3'''-(7,8-dihydroporphyrin-5,10,15,20-tetrayl)tetraphenol;   Foscan;   m-THPC;   meso-tetrahydroxyphenylchlorin
 xref: CAS:122341-38-2;   Patent:EP337601;   Patent:US4992257;   drugcentral:2588;   kegg.compound:C11730;   kegg.drug:D06066
 chemrof_formula: C44H32N4O4
 chemrof_inchi: InChI=1S/C44H32N4O4/c49-29-9-1-5-25(21-29)41-33-13-15-35(45-33)42(26-6-2-10-30(50)22-26)37-17-19-39(47-37)44(28-8-4-12-32(52)24-28)40-20-18-38(48-40)43(36-16-14-34(41)46-36)27-7-3-11-31(51)23-27/h1-17,19,21-24,46-47,49-52H,18,20H2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
 chemrof_inchikey: LYPFDBRUNKHDGX-LWQDQPMZSA-N
 chemrof_smiles: Oc1cccc(-c2c3ccc(n3)c(-c3cccc(O)c3)c3nc(c(-c4cccc(O)c4)c4ccc(n4)c(-c4cccc(O)c4)c4nc2C=C4)CC3)c1


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  CHEBI ontology 20874
    role 20844
      application 20572
        pharmaceutical 20359
          drug 20359
            photosensitizing agent 7707
              temoporfin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20874
    subatomic particle 20883
      composite particle 20883
        hadron 20872
          baryon 20883
            nucleon 20872
              atomic nucleus 20883
                atom 20872
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20712
                        carbon atom 20706
                          organic molecular entity 20706
                            organic molecule 20499
                              organic cyclic compound 20390
                                organic heterocyclic compound 19381
                                  organonitrogen heterocyclic compound 18491
                                    polypyrrole 716
                                      tetrapyrrole 604
                                        cyclic tetrapyrrole 476
                                          porphyrins 394
                                            dihydroporphyrin 0
                                              chlorins 0
                                                temoporfin 0
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