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CHEBI:61080 - romidepsin

ChEBI IDCHEBI:61080
ChEBI Nameromidepsin
Stars
DefinitionA cyclodepsipeptide consisting of the cyclic disulfide of (2Z)-2-aminobut-2-enoyl, L-valyl, (3S,4E)-3-hydroxy-7-sulfanylhept-4-enoyl, D-valyl and D-cysteinyl residues coupled in sequence and cyclised head-to tail.
Secondary ChEBI IDCHEBI:69482
Last Modified22 February 2017
SubmitterSandra Orchard
DownloadsMolfile
FormulaC24H36N4O6S2
Net Charge0
Average Mass540.708
Monoisotopic Mass540.20763
SMILESC/C=C1\NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O
InChIInChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1
InChIKeyOHRURASPPZQGQM-GCCNXGTGSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Chromobacterium violaceum (ncbitaxon:536)
- PubMed (21793558) Strain: 968
- PubMed (21967146)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
EC 3.5.1.98 (histone deacetylase) inhibitor  An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98).
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
romidepsin (CHEBI:61080) has role antineoplastic agent (CHEBI:35610)
romidepsin (CHEBI:61080) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115)
romidepsin (CHEBI:61080) is a cyclodepsipeptide (CHEBI:35213)
romidepsin (CHEBI:61080) is a heterocyclic antibiotic (CHEBI:24531)
romidepsin (CHEBI:61080) is a organic disulfide (CHEBI:35489)
IUPAC Name 
(1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone
INNs  Source
romidepsinChemIDplus
romidepsineWHO MedNet
romidepsinumWHO MedNet
romidepsinaWHO MedNet
Synonyms  Source
FK228SUBMITTER
FR901228SUBMITTER
Antibiotic FR 901228ChemIDplus
NSC-630176ChEBI
Brand Names  Source
IstodaxSUBMITTER
ChromadaxKEGG DRUG
Manual XrefsDatabases
D06637KEGG DRUG
RomidepsinWikipedia
4119DrugCentral
Registry NumbersSources
Reaxys:6854221Reaxys
CAS:128517-07-7SUBMITTER
CAS:128517-07-7ChemIDplus
CAS:128517-07-7KEGG DRUG
Citations