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CHEBI:758976 - sunirine

Default Structure
ChEBI IDCHEBI:758976
ChEBI Namesunirine
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC60H63N9O15S
Net Charge0
Average Mass1182.279
Monoisotopic Mass1181.41643
SMILES[H][C@]12CNc3cc(OCc4cc(COc5cc6c(cc5OC)C(=O)N5c7ccccc7C[C@@]5([H])[C@H](S(=O)(=O)O)N6)cc(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCCCC(=O)NCCN5C(=O)C=CC5=O)c4)c(OC)cc3C(=O)N1c1ccccc1C2
InChIInChI=1S/C60H63N9O15S/c1-33(63-53(71)16-10-9-15-52(70)61-19-20-67-54(72)17-18-55(67)73)56(74)64-34(2)57(75)65-39-22-35(31-83-50-28-43-41(26-48(50)81-3)59(76)68-40(30-62-43)24-37-11-5-7-13-45(37)68)21-36(23-39)32-84-51-29-44-42(27-49(51)82-4)60(77)69-46-14-8-6-12-38(46)25-47(69)58(66-44)85(78,79)80/h5-8,11-14,17-18,21-23,26-29,33-34,40,47,58,62,66H,9-10,15-16,19-20,24-25,30-32H2,1-4H3,(H,61,70)(H,63,71)(H,64,74)(H,65,75)(H,78,79,80)/t33-,34-,40-,47-,58-/m0/s1
InChIKeyULMLCLUWGHVNGG-ZVGXFVMESA-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)
sunirine (CHEBI:758976) has role antineoplastic agent (CHEBI:35610)
sunirine (CHEBI:758976) is a dipeptide (CHEBI:46761)
Synonyms  Source
DGN549-CChEMBL
SunirineChEMBL