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ChEBI
> Main
CHEBI:65916 - FR901465
Main
ChEBI Ontology
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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.
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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
(2
S
,3
Z
)-
5-
{[(2
R
,3
R
,5
S
,6
S
)-
2,5-
dimethyl-
6-
{(2
E
,4
E
)-
3-
methyl-
5-
[(3
R
,4
R
,5
R
,7
S
,8
R
)-
4,7,8-
trihydroxy-
7-
methyl-
1,6-
dioxaspiro[2.5]oct-
5-
yl]penta-
2,4-
dien-
1-
yl}tetrahydro-
2
H
-
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
Types
Sources
9031664
PubMed citation
Europe PMC
9031665
PubMed citation
Europe PMC
9066774
PubMed citation
Europe PMC
Last Modified
24 August 2016