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(Q28529673)
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English
prostaglandin D3
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
prostaglandins
0 references
mass
350.20932406
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
PGD3
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₅
0 references
canonical SMILES
O=C(O)CCCC=CCC1C(O)CC(=O)C1C=CC(O)CC=CCC
0 references
isomeric SMILES
CC\C=C/C[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O
0 references
found in taxon
Homo sapiens
2 references
stated in
Recon 2.2: from reconstruction to model of human metabolism
stated in
A community-driven global reconstruction of human metabolism.
Identifiers
InChI
InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-18,21-22H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,18-/m0/s1
0 references
InChIKey
ANOICLBSJIMQTA-WXGBOJPQSA-N
1 reference
stated in
ChEBI release 2020-09-01
CAS Registry Number
71902-47-1
1 reference
InChIKey
ANOICLBSJIMQTA-WXGBOJPQSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=71902-47-1
PubChem CID
5282260
1 reference
matched by identifier from
InChIKey
InChIKey
ANOICLBSJIMQTA-WXGBOJPQSA-N
ChEBI ID
34939
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-18,21-22H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,18-/m0/s1
UniChem compound ID
1073720
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0003034
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ANOICLBSJIMQTA-WXGBOJPQSA-N
UNII
895XE61E0I
1 reference
matched by identifier from
InChIKey
InChIKey
ANOICLBSJIMQTA-WXGBOJPQSA-N
Probes And Drugs ID
PD021329
0 references
KEGG ID
C13802
0 references
LIPID MAPS ID
LMFA03010142
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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