CHEBI:65916 - FR901465

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name FR901465
ChEBI ID CHEBI:65916
Definition A spiro-epoxide with potent cytotoxic activity against human tumour cells. It is isolated from Pseudomonas sp. no.2663.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H41NO9
Net Charge 0
Average Mass 523.61570
Monoisotopic Mass 523.27813
InChI InChI=1S/C27H41NO9/c1-15(8-11-22-24(31)27(14-34-27)25(32)26(6,33)37-22)7-10-21-16(2)13-20(18(4)36-21)28-23(30)12-9-17(3)35-19(5)29/h7-9,11-12,16-18,20-22,24-25,31-33H,10,13-14H2,1-6H3,(H,28,30)/b11-8+,12-9-,15-7+/t16-,17-,18+,20+,21-,22+,24+,25-,26-,27+/m0/s1
InChIKey DQTXAXNYLWRTPB-NTVXLVODSA-N
SMILES C[C@H]1C[C@@H](NC(=O)\C=C/[C@H](C)OC(C)=O)[C@@H](C)O[C@H]1C\C=C(C)\C=C\[C@H]1O[C@](C)(O)[C@H](O)[C@@]2(CO2)[C@@H]1O
Metabolite of Species Details
Pseudomonas sp. 2663 (NCBI:txid764483) of strain 2663 See: PubMed
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing FR901465 (CHEBI:65916) has role antineoplastic agent (CHEBI:35610)
FR901465 (CHEBI:65916) has role bacterial metabolite (CHEBI:76969)
FR901465 (CHEBI:65916) is a acetate ester (CHEBI:47622)
FR901465 (CHEBI:65916) is a cyclic hemiketal (CHEBI:59780)
FR901465 (CHEBI:65916) is a monocarboxylic acid amide (CHEBI:29347)
FR901465 (CHEBI:65916) is a pyrans (CHEBI:26407)
FR901465 (CHEBI:65916) is a secondary alcohol (CHEBI:35681)
FR901465 (CHEBI:65916) is a spiro-epoxide (CHEBI:133131)
IUPAC Name
(2S,3Z)-5-{[(2R,3R,5S,6S)-2,5-dimethyl-6-{(2E,4E)-3-methyl-5-[(3R,4R,5R,7S,8R)-4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]penta-2,4-dien-1-yl}tetrahydro-2H-pyran-3-yl]amino}-5-oxopent-3-en-2-yl acetate
Registry Numbers Types Sources
146478-73-1 CAS Registry Number ChemIDplus
8176532 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
9031664 PubMed citation Europe PMC
9031665 PubMed citation Europe PMC
9066774 PubMed citation Europe PMC
Last Modified
24 August 2016