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CHEBI:65914 - FR901463

ChEBI IDCHEBI:65914
ChEBI NameFR901463
Stars
DefinitionA cyclic hemiketal isolated from the fermentation broth of Pseudomonas sp.no.2663. It displays potent cytotoxic activity against human tumour cells.
Last Modified5 March 2014
DownloadsMolfile
FormulaC27H42ClNO8
Net Charge0
Average Mass544.085
Monoisotopic Mass543.25989
SMILESCC(=O)OC(C)/C=C\C(=O)NC1CC(C)C(C/C=C(C)/C=C/C2O[C@](C)(O)C[C@@](O)(CCl)[C@@H]2O)OC1C
InChIInChI=1S/C27H42ClNO8/c1-16(8-11-23-25(32)27(34,15-28)14-26(6,33)37-23)7-10-22-17(2)13-21(19(4)36-22)29-24(31)12-9-18(3)35-20(5)30/h7-9,11-12,17-19,21-23,25,32-34H,10,13-15H2,1-6H3,(H,29,31)/b11-8+,12-9-,16-7+/t17?,18?,19?,21?,22?,23?,25-,26+,27-/m1/s1
InChIKeyRONUKPQOBQKEHX-FOUIGEGESA-N
Species of MetaboliteComponentSourceComments
Pseudomonas sp. 2663 (ncbitaxon:764483) - PubMed (9031664) Strain: 2663
Roles Classification
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
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)
FR901463 (CHEBI:65914) has role antimicrobial agent (CHEBI:33281)
FR901463 (CHEBI:65914) has role antineoplastic agent (CHEBI:35610)
FR901463 (CHEBI:65914) has role bacterial metabolite (CHEBI:76969)
FR901463 (CHEBI:65914) is a acetate ester (CHEBI:47622)
FR901463 (CHEBI:65914) is a cyclic hemiketal (CHEBI:59780)
FR901463 (CHEBI:65914) is a monocarboxylic acid amide (CHEBI:29347)
FR901463 (CHEBI:65914) is a organochlorine compound (CHEBI:36683)
FR901463 (CHEBI:65914) is a pyrans (CHEBI:26407)
IUPAC Name 
6-[(1E,3E)-5-(5-{[(2Z)-4-(acetyloxy)pent-2-enoyl]amino}-3,6-dimethyltetrahydro-2H-pyran-2-yl)-3-methylpenta-1,3-dien-1-yl]-4-C-(chloromethyl)-1,3-dideoxy-α-D-erythro-hex-2-ulopyranose
Synonym  Source
(3Z)-5-[(6-{(2E,4E)-5-[(3R,4S,6S)-4-(chloromethyl)-3,4,6-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-methylpenta-2,4-dien-1-yl}-2,5-dimethyltetrahydro-2H-pyran-3-yl)amino]-5-oxopent-3-en-2-yl acetateIUPAC
Registry NumbersSources
Reaxys:8176949Reaxys
CAS:146478-74-2ChemIDplus
Citations