EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:758239 - onzigolide

Default Structure
ChEBI IDCHEBI:758239
ChEBI Nameonzigolide
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC86H116N16O12S4
Net Charge0
Average Mass1694.242
Monoisotopic Mass1692.78415
SMILES[H][C@@]12Cc3cnc4cccc(c34)[C@@]1([H])C[C@@H](CSCC(=O)NCCCC[C@@H](NC(=O)CSC[C@H]1CN(CCC)[C@]3([H])Cc4cnc5cccc(c45)[C@@]3([H])C1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc3cnc4ccccc34)NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)CN2CCC
InChIInChI=1S/C86H116N16O12S4/c1-5-30-101-41-51(32-60-58-17-14-22-64-76(58)54(39-91-64)36-72(60)101)43-115-47-74(105)89-29-13-11-21-66(93-75(106)48-116-44-52-33-61-59-18-15-23-65-77(59)55(40-92-65)37-73(61)102(42-52)31-6-2)81(109)99-70-45-117-118-46-71(86(114)100-78(49(4)103)79(88)107)98-80(108)62(7-3)94-82(110)67(20-10-12-28-87)95-84(112)69(35-53-38-90-63-19-9-8-16-57(53)63)97-83(111)68(96-85(70)113)34-50-24-26-56(104)27-25-50/h8-9,14-19,22-27,38-40,49,51-52,60-62,66-73,78,90-92,103-104H,5-7,10-13,20-21,28-37,41-48,87H2,1-4H3,(H2,88,107)(H,89,105)(H,93,106)(H,94,110)(H,95,112)(H,96,113)(H,97,111)(H,98,108)(H,99,109)(H,100,114)/t49-,51-,52-,60-,61-,62+,66-,67+,68+,69-,70+,71+,72-,73-,78+/m1/s1
InChIKeyWLBJBODHTIKYSL-JFPOTJHNSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
onzigolide (CHEBI:758239) has role antineoplastic agent (CHEBI:35610)
onzigolide (CHEBI:758239) is a polypeptide (CHEBI:15841)
INN  Source
onzigolideWHO MedNet
Synonyms  Source
BIM-23A760ChEMBL
DopastatinChEMBL
TBR-760ChEMBL