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CHEBI:68035 - Bathymodiolamide A
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ChEBI Ontology
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ChEBI Name
Bathymodiolamide A
ChEBI ID
CHEBI:68035
Definition
A natural product found in
Bathymodiolus thermophilus
.
Stars
This entity has been manually annotated by a third party.
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Formula
C49H89NO7
Net Charge
0
Average Mass
804.23350
Monoisotopic Mass
803.66390
InChI
InChI=1S/C49H89NO7/c1-
4-
7-
10-
13-
16-
19-
21-
23-
25-
28-
31-
34-
37-
40-
47(53)
56-
43-
45(57-
48(54)
41-
38-
35-
32-
29-
26-
24-
22-
20-
17-
14-
11-
8-
5-
2)
49(55)
44(42-
51)
50-
46(52)
39-
36-
33-
30-
27-
18-
15-
12-
9-
6-
3/h11,14,20,22,26,29,44-
45,49,51,55H,4-
10,12-
13,15-
19,21,23-
25,27-
28,30-
43H2,1-
3H3,(H,50,52)
/b14-
11-
,22-
20-
,29-
26-
/t44-
,45-
,49+/m0/s1
InChIKey
ZWRWCDYNQPJUJY-MWNPFMMGSA-N
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCC\C=C/C\C=C/C\C=C/CCC)[C@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC
Metabolite of Species
Details
Bathymodiolus thermophilus
(NCBI:txid12966)
Found in gill
(BTO:0000518)
. Methanolic extract of tissues from gills See:
PubMed
Roles Classification
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
Bathymodiolamide A (
CHEBI:68035
)
has role
metabolite (
CHEBI:25212
)
Bathymodiolamide A (
CHEBI:68035
)
is a
polyunsaturated fatty ester (
CHEBI:145039
)
Synonyms
Sources
2-Deoxy-2-(dodecanoylamino)-4-O-[(6Z,9Z,12Z)-6,9,12-hexadecatrienoyl]-5-O-palmitoyl-L-arabinitol
ChEBI
[(2S,3R,4S)-
4-
(dodecanoylamino)-
2-
[(6Z,9Z,12Z)-
hexadeca-
6,9,12-
trienoyl]oxy-
3,5-
dihydroxypentyl] hexadecanoate
ChEBI
Citation
Type
Source
21222464
PubMed citation
Europe PMC
Last Modified
07 October 2019
General Comment
2014-10-17
Suggested Classification: ISA:dicarboxylic acid(CHEBI:35692); ISA:fatty amide(CHEBI:29348); ISA:carboxamide(CHEBI:37622); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586); ISA:amine(CHEBI:32952);