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ChEBI
> Main
CHEBI:85238 - 15-
deoxy-
Δ
12,14
-
prostaglandin J
2
-
2-
glyceryl ester
Main
ChEBI Ontology
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ChEBI Name
15-
deoxy-
Δ
12,14
-
prostaglandin J
2
-
2-
glyceryl ester
ChEBI ID
CHEBI:85238
ChEBI ASCII Name
15-deoxy-Delta(12,14)-prostaglandin J2-2-glyceryl ester
Definition
A 2-monoglyceride resulting from the condensation of the carboxy group of 15-deoxy-Δ
12,14
-prostaglandin J
2
with the hydroxy group at position 2 of glycerol.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Nevila Nouspikel
Nevila Nouspikel
Secondary ChEBI IDs
CHEBI:85233
Supplier Information
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Formula
C23H34O5
Net Charge
0
Average Mass
390.51310
Monoisotopic Mass
390.24062
InChI
InChI=1S/C23H34O5/c1-
2-
3-
4-
5-
6-
10-
13-
21-
19(15-
16-
22(21)
26)
12-
9-
7-
8-
11-
14-
23(27)
28-
20(17-
24)
18-
25/h6-
7,9-
10,13,15-
16,19-
20,24-
25H,2-
5,8,11-
12,14,17-
18H2,1H3/b9-
7-
,10-
6+,21-
13+/t19-
/m0/s1
InChIKey
JGKIBUMNHSZUSL-SLDNAQRASA-N
SMILES
CCCCC\C=C\C=C1/[C@@H](C\C=C/CCCC(=O)OC(CO)CO)C=CC1=O
ChEBI Ontology
Outgoing
15-
deoxy-
Δ
12,14
-
prostaglandin J
2
-
2-
glyceryl ester (
CHEBI:85238
)
has functional parent
15-deoxy-Δ
12,14
-prostaglandin J
2
(
CHEBI:34159
)
15-
deoxy-
Δ
12,14
-
prostaglandin J
2
-
2-
glyceryl ester (
CHEBI:85238
)
is a
2-monoglyceride (
CHEBI:17389
)
15-
deoxy-
Δ
12,14
-
prostaglandin J
2
-
2-
glyceryl ester (
CHEBI:85238
)
is a
prostaglandins J (
CHEBI:26346
)
IUPAC Name
1,3-dihydroxypropan-2-yl (5
Z
,12
E
,14
E
)-11-oxoprosta-5,9,12,14-tetraen-1-oate
Synonyms
Sources
11-oxo-5
Z
,9,12
E
,14
E
-prostatetraenoic acid 2-glyceryl ester
SUBMITTER
2-glyceryl 11-oxo-5
Z
,9,12
E
,14
E
-prostatetraenoate
ChEBI
2-glyceryl-15-deoxy-Δ
12,14
-prostaglandin J
2
UniProt
Manual Xref
Database
HMDB0013656
HMDB
View more database links
Registry Number
Type
Source
24290747
Reaxys Registry Number
Reaxys
Citation
Type
Source
25290914
PubMed citation
SUBMITTER
Last Modified
13 December 2023