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


The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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.

go back to main search page
Accession:CHEBI:87837 term browser browse the term
Definition:A cytochalasan alkaloid found in Aspergillus clavatus.
Synonyms:exact_synonym: (3S,3aR,4S,6aS,7E,10S,12S,13E,15aS)-3-benzyl-4,5,10,12-tetramethyl-3,3a,4,6a,9,10-hexahydro-1H-cycloundeca[d]isoindole-1,11,15(2H,12H)-trione
 related_synonym: Formula=C28H33NO3;   InChI=1S/C28H33NO3/c1-17-9-8-12-22-15-19(3)20(4)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)24(30)14-13-18(2)26(17)31/h5-8,10-15,17-18,20,22-23,25H,9,16H2,1-4H3,(H,29,32)/b12-8+,14-13+/t17-,18-,20+,22-,23-,25-,28+/m0/s1;   InChIKey=MZRDRLOYHFZNCS-IZVHRENNSA-N;   SMILES=[H][C@]12[C@H](CC3=CC=CC=C3)NC(=O)[C@@]11[C@H](C=C(C)[C@H]2C)\\C=C\\C[C@H](C)C(=O)[C@@H](C)\\C=C\\C1=O
 xref: PMID:24838010;   PMID:25626143;   Reaxys:27722608

show annotations for term's descendants           Sort by:

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19770
    chemical entity 19769
      molecular entity 19767
        polyatomic entity 19677
          molecule 19494
            cyclic compound 19271
              macrocycle 2197
                ketocytochalasin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19655
                    p-block element atom 19655
                      carbon group element atom 19550
                        carbon atom 19539
                          organic molecular entity 19539
                            organic group 18488
                              organic divalent group 18481
                                organodiyl group 18481
                                  carbonyl group 18384
                                    carbonyl compound 18384
                                      carboxylic acid 18054
                                        carboacyl group 17334
                                          univalent carboacyl group 17334
                                            carbamoyl group 17118
                                              carboxamide 17118
                                                lactam 7846
                                                  gamma-lactam 6060
                                                    ketocytochalasin 0
paths to the root


RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.