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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:69208 - tumonoic acid B
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ChEBI Name
tumonoic acid B
ChEBI ID
CHEBI:69208
Definition
A natural product found particularly in
Oscillatoria margaritifera
and
Oscillatoria margaritifera
.
Stars
This entity has been manually annotated by a third party.
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Formula
C28H47NO8
Net Charge
0
Average Mass
525.67470
Monoisotopic Mass
525.33017
InChI
InChI=1S/C28H47NO8/c1-
7-
9-
10-
11-
12-
13-
15-
19(4)
23(30)
20(5)
25(31)
29-
17-
14-
16-
22(29)
27(34)
37-
24(18(3)
8-
2)
28(35)
36-
21(6)
26(32)
33/h15,18,20-
24,30H,7-
14,16-
17H2,1-
6H3,(H,32,33)
/b19-
15+/t18-
,20+,21-
,22-
,23+,24+/m0/s1
InChIKey
HYPDCGGBAFGHKA-JILBMGCCSA-N
SMILES
CCCCCCC\C=C(/C)[C@@H](O)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O[C@H]([C@@H](C)CC)C(=O)O[C@@H](C)C(O)=O
Metabolite of Species
Details
Oscillatoria margaritifera
(NCBI:txid748017)
Extracted with CHCl2/MeOH (2:1) of strain NAC8 46 See:
PubMed
Oscillatoria margaritifera
(NCBI:txid748017)
Extracted with CHCl2/MeOH (2:1) of strain NAC8 45 See:
PubMed
Oscillatoria margaritifera NAC8-54
(NCBI:txid748039)
Extracted with CHCl2/MeOH (2:1) See:
PubMed
Oscillatoria margaritifera NAC8-55
(NCBI:txid748040)
Extracted with CHCl2/MeOH (2:1) See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
tumonoic acid B (
CHEBI:69208
)
has role
metabolite (
CHEBI:25212
)
tumonoic acid B (
CHEBI:69208
)
is a
depsipeptide (
CHEBI:23643
)
Synonym
Source
(2S)-
2-
[(2R,3S)-
2-
[(2S)-
1-
[(E,2R,3S)-
3-
hydroxy-
2,4-
dimethyldodec-
4-
enoyl]pyrrolidine-
2-
carbonyl]oxy-
3-
methylpentanoyl]oxypropanoic acid
ChEBI
Citation
Type
Source
21751786
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:N-acyl-amino acid(CHEBI:51569); ISA:alpha-amino acid ester(CHEBI:46874); ISA:carbonyl compound(CHEBI:36586); ISA:pyrrolidinecarboxylic acid(CHEBI:46767); ISA:carboxylic acid(CHEBI:33575); ISA:N-acylpyrrolidine(CHEBI:46766); ISA:fatty acid ester(CHEBI:35748); ISA:fatty amide(CHEBI:29348); ISA:amino alcohol(CHEBI:22478); ISA:carboxamide(CHEBI:37622); ISA:carboxylic ester(CHEBI:33308); ISA:secondary alcohol(CHEBI:35681); ISA:tertiary amine(CHEBI:32876); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698);