CHEBI:61080 - romidepsin

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ChEBI Name romidepsin
ChEBI ID CHEBI:61080
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Sandra Orchard
Secondary ChEBI IDs CHEBI:69482
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Formula C24H36N4O6S2
Net Charge 0
Average Mass 540.69600
Monoisotopic Mass 540.208
InChI InChI=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
InChIKey OHRURASPPZQGQM-GCCNXGTGSA-N
SMILES C\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](NC1=O)C(C)C
Metabolite of Species Details
Chromobacterium violaceum (NCBI:txid536) of strain 968 See: PubMed
Chromobacterium violaceum (NCBI:txid536) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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.
(via heterocyclic antibiotic )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
romidepsin ChemIDplus
romidepsina WHO MedNet
romidepsine WHO MedNet
romidepsinum WHO MedNet
Synonyms Sources
Antibiotic FR 901228 ChemIDplus
FK228 SUBMITTER
FR901228 SUBMITTER
NSC-630176 ChEBI
Brand Names Sources
Chromadax KEGG DRUG
Istodax SUBMITTER
Manual Xrefs Databases
4119 DrugCentral
D06637 KEGG DRUG
Romidepsin Wikipedia
View more database links
Registry Numbers Types Sources
128517-07-7 CAS Registry Number KEGG DRUG
128517-07-7 CAS Registry Number ChemIDplus
128517-07-7 CAS Registry Number SUBMITTER
6854221 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
18205373 PubMed citation Europe PMC
20645688 PubMed citation Europe PMC
21110829 PubMed citation Europe PMC
7513682 PubMed citation Europe PMC
8175483 PubMed citation Europe PMC
Last Modified
22 February 2017