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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:mertansine
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Accession:CHEBI:82755 term browser browse the term
Definition:An organic heterotetracyclic compound and 19-membered macrocyclic lactam that is maytansine in which one of the hydrogens of the terminal N-acetyl group is replaced by a sulfanylmethyl group.
Synonyms:related_synonym: (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1(10,14).0(3,5)]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-[methyl(3-sulfanylpropanoyl)amino]propanoate;   DM 1;   DM1;   Formula=C35H48ClN3O10S;   InChI=1S/C35H48ClN3O10S/c1-19-10-9-11-26(46-8)35(44)18-25(47-33(43)37-35)20(2)31-34(4,49-31)27(48-32(42)21(3)38(5)28(40)12-13-50)17-29(41)39(6)23-15-22(14-19)16-24(45-7)30(23)36/h9-11,15-16,20-21,25-27,31,44,50H,12-14,17-18H2,1-8H3,(H,37,43)/b11-9+,19-10+/t20-,21+,25+,26-,27+,31+,34+,35+/m1/s1;   InChIKey=ANZJBCHSOXCCRQ-FKUXLPTCSA-N;   N2'-deacetyl-N2'-(3-mercapto-1-oxopropyl)-maytansine;   SMILES=CO[C@@H]1\\C=C\\C=C(C)\\Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCS)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)NC(=O)O2;   maytansinoid DM 1;   maytansinoid DM1
 xref: CAS:139504-50-0;   KEGG:C20259;   PMID:23798344;   PMID:24389179;   PMID:24623670;   PMID:24887180;   Reaxys:10753281;   Wikipedia:Mertansine



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Path 1
Term Annotations click to browse term
  CHEBI ontology 20056
    role 20008
      biological role 20007
        pharmacological role 19087
          tubulin modulator 2544
            mertansine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20056
    subatomic particle 20054
      composite particle 20054
        hadron 20054
          baryon 20054
            nucleon 20054
              atomic nucleus 20054
                atom 20054
                  main group element atom 19956
                    p-block element atom 19956
                      carbon group element atom 19882
                        carbon atom 19875
                          organic molecular entity 19875
                            organic group 18961
                              organic divalent group 18947
                                organodiyl group 18947
                                  carbonyl group 18900
                                    carbonyl compound 18900
                                      carboxylic acid 18594
                                        carboacyl group 17706
                                          univalent carboacyl group 17706
                                            carbamoyl group 17546
                                              carboxamide 17546
                                                lactam 8343
                                                  maytansinoid 0
                                                    maytansine 0
                                                      mertansine 0
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