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prostaglandin D3

MNXM740255 is deprecated and replaced by MNXM1104732
PropertiesImage
MNX_IDMNXM1104732 Image of MNXM1104732
referencechebi:132149
formulaC20H29O5
global charge-1
mol weight349.447
InChIKeyANOICLBSJIMQTA-WXGBOJPQSA-M
InChIInChI=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)/p-1/b6-3-,7-4-,13-12+/t15-,16+,17+,18-/m0/s1
SMILESCC/C=C\C[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1104732
SMILES (mnx)[CH3:1][CH2:2]/[CH:3]=[CH:6]\[CH2:9][C@@H:15](/[CH:12]=[CH:13]/[C@@H:17]1[C@@H:16]([CH2:10]/[CH:7]=[CH:4]\[CH2:5][CH2:8][CH2:11][C:20](=[O:24])[OH:25])[C@@H:18]([OH:22])[CH2:14][C:19]1=[O:23])[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:132149
chebi:132149
ANOICLBSJIMQTA-WXGBOJPQSA-M
prostaglandin D3
(5Z,13E,15S,17Z)-9alpha,15-dihydroxy-11-oxoprosta-5,13,17-trien-1-oate
PGD3(1-)
prostaglandin D3(1-)

lipidmaps:LMFA03010142
lipidmapsM:LMFA03010142
ANOICLBSJIMQTA-WXGBOJPQSA-N
PGD3
9S,15S-dihydroxy-11-oxo-5Z,13E,17Z-prostatrienoic acid
FA 20:5
O3
Prostaglandin D3

seed.compound:cpd09623
seedM:cpd09623
sabiork.compound:20438
sabiorkM:20438
kegg.compound:C13802
keggC:C13802
ANOICLBSJIMQTA-WXGBOJPQSA-M
ANOICLBSJIMQTA-WXGBOJPQSA-N
Prostaglandin D3
hmdb:HMDB0003034
ANOICLBSJIMQTA-WXGBOJPQSA-N
Prostaglandin D3
(5Z)-7-[(1R,2R,5S)-5-Hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dien-1-yl]-3-oxocyclopentyl]hept-5-enoate
(5Z)-7-[(1R,2R,5S)-5-Hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dien-1-yl]-3-oxocyclopentyl]hept-5-enoic acid
(5Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dien-1-yl]-3-oxocyclopentyl]hept-5-enoic acid
(5Z,13E,15S,17Z)-9a,15-Dihydroxy-11-oxoprosta-5,13,17-trien-1-Oate
(5Z,13E,15S,17Z)-9a,15-Dihydroxy-11-oxoprosta-5,13,17-trien-1-Oic acid
(5Z,13E,15S,17Z)-9alpha,15-Dihydroxy-11-oxoprosta-5,13,17-trien-1-Oate
(5Z,13E,15S,17Z)-9alpha,15-Dihydroxy-11-oxoprosta-5,13,17-trien-1-Oic acid
(5Z,13E,15S,17Z)-9alpha,15-dihydroxy-11-oxoprosta-5,13,17-trien-1-Oate
(5Z,13E,15S,17Z)-9alpha,15-dihydroxy-11-oxoprosta-5,13,17-trien-1-Oic acid
9S,15S-Dihydroxy-11-oxo-5Z,13E,17Z-prostatrienoate
9S,15S-Dihydroxy-11-oxo-5Z,13E,17Z-prostatrienoic acid
PGD3
prostaglandin D3

bigg.metabolite:HC02210
biggM:HC02210
ANOICLBSJIMQTA-WXGBOJPQSA-M
Prostaglandin-d3

CHEBI:34939
chebi:34939
ANOICLBSJIMQTA-WXGBOJPQSA-N
prostaglandin D3
(5Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dien-1-yl]-3-oxocyclopentyl]hept-5-enoic acid
(5Z,13E,15S,17Z)-9alpha,15-dihydroxy-11-oxoprosta-5,13,17-trien-1-oic acid
9S,15S-Dihydroxy-11-oxo-5Z,13E,17Z-prostatrienoic acid
Prostaglandin D3

metacyc.compound:CPD-24691
metacycM:CPD-24691
ANOICLBSJIMQTA-WXGBOJPQSA-M
prostaglandin D3
(5Z,13E,15S,17Z)-9alpha,15-dihydroxy-11-oxoprosta-5,13,17-trien-1-oate
9S,15S-dihydroxy-11-oxo-5Z,13E,17Z-prostatrienoate

hmdb:HMDB03034
biggM:M_HC02210
keggC:M_C13802
seedM:M_cpd09623
secondary/obsolete/fantasy identifier