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prostaglandin D2

PropertiesImage
MNX_IDMNXM1105793 Image of MNXM1105793
referencechebi:57406
formulaC20H31O5
global charge-1
mol weight351.463
InChIKeyBHMBVRSPMRCCGG-OUTUXVNYSA-M
InChIInChI=1S/C20H32O5/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/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/p-1/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1
SMILESCCCCC[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/C20H32O5/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/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1 Image of MNXM1105793
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:6][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)23
in models (compartimentalized) 23
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57406
chebi:57406
BHMBVRSPMRCCGG-OUTUXVNYSA-M 		prostaglandin D2
(5Z,13E,15S)-9alpha,15-dihydroxy-11-oxoprosta-5,13-dien-1-oate
prostaglandin D2 anion
prostaglandin D2(1-)

lipidmaps:LMFA03010007
lipidmapsM:LMFA03010007
BHMBVRSPMRCCGG-OUTUXVNYSA-N 		PGD2-d4
9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid (3,3,4,4-d4)
Prostaglandin D2-d4

lipidmaps:LMFA03010256
lipidmapsM:LMFA03010256
BHMBVRSPMRCCGG-OUTUXVNYSA-N 		PGD2-d9
11-Dehydroprostaglandin F2-alpha-d9
11-Dehydroprostaglandin F2alpha-d9
9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic-17,17,18,18,19,19,20,20,20-d9 acid
9alpha,15S-dihydroxy-11-oxo-prosta-5Z,13E-dien-1-oic-17,17,18,18,19,19,20,20,20-d9 acid
Prostaglandin D2-d9

lipidmaps:LMFA03010004
lipidmapsM:LMFA03010004
BHMBVRSPMRCCGG-OUTUXVNYSA-N 		PGD2
(5Z,13E,15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate
11-Dehydroprostaglandin F2-alpha
11-Dehydroprostaglandin F2alpha
9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid
FA 20:4
O3
Prostaglandin D2

bigg.metabolite:prostgd2
biggM:prostgd2
BHMBVRSPMRCCGG-OUTUXVNYSA-M 		Prostaglandin D2
hmdb:HMDB0001403
BHMBVRSPMRCCGG-OUTUXVNYSA-N 		Prostaglandin D2
(5Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-oxocyclopentyl]hept-5-enoic acid
(5Z,13E)-(15S)-9,15-Dihydroxy-11-oxoprosta-5,13-dienoate
(5Z,13E)-(15S)-9,15-Dihydroxy-11-oxoprosta-5,13-dienoic acid
(5Z,13E)-(15S)-9-alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate
(5Z,13E)-(15S)-9-alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoic acid
(5Z,13E)-(15S)-9a,15-Dihydroxy-11-oxoprosta-5,13-dienoate
(5Z,13E)-(15S)-9a,15-Dihydroxy-11-oxoprosta-5,13-dienoic acid
(5Z,13E)-(15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate
(5Z,13E)-(15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoic acid
(5Z,13E)-(15S)-9alpha,15-dihydroxy-11-oxoprosta-5,13-dienoate
(5Z,13E)-(15S)-9alpha,15-dihydroxy-11-oxoprosta-5,13-dienoic acid
(5Z,13E,15S)-9-alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate
(5Z,13E,15S)-9-alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoic acid
(5Z,13E,15S)-9a,15-Dihydroxy-11-oxoprosta-5,13-dien-1-Oate
(5Z,13E,15S)-9a,15-Dihydroxy-11-oxoprosta-5,13-dien-1-Oic acid
(5Z,13E,15S)-9a,15-Dihydroxy-11-oxoprosta-5,13-dienoate
(5Z,13E,15S)-9a,15-Dihydroxy-11-oxoprosta-5,13-dienoic acid
(5Z,13E,15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate
(5Z,13E,15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoic acid
(5Z,13E,15S)-9alpha,15-dihydroxy-11-oxoprosta-5,13-dienoate
(5Z,13E,15S)-9alpha,15-dihydroxy-11-oxoprosta-5,13-dienoic acid
(5Z,9-alpha,13E,15S)-9,15-Dihydroxy-11-oxo-prosta-5,13-dien-1-Oate
(5Z,9-alpha,13E,15S)-9,15-Dihydroxy-11-oxo-prosta-5,13-dien-1-Oic acid
(5Z,9alpha,13E,15S)-9,15-Dihydroxy-11-oxo-prosta-5,13-dien-1-Oate
(5Z,9alpha,13E,15S)-9,15-Dihydroxy-11-oxo-prosta-5,13-dien-1-Oic acid
11 Dehydroprostaglandin F2 alpha
11 Dehydroprostaglandin F2alpha
11-Dehydroprostaglandin F2 alpha
11-Dehydroprostaglandin F2-a
11-Dehydroprostaglandin F2-alpha
11-Dehydroprostaglandin F2alpha
9S,15S-Dihydroxy-11-oxo-5Z,13E-prostadienoate
9S,15S-Dihydroxy-11-oxo-5Z,13E-prostadienoic acid
D2, Prostaglandin
F2 alpha, 11-Dehydroprostaglandin
F2alpha, 11-Dehydroprostaglandin
PGD2
alpha, 11-Dehydroprostaglandin F2
prostaglandin D2

seed.compound:cpd00527
seedM:cpd00527
BHMBVRSPMRCCGG-OUTUXVNYSA-M 		Prostaglandin D2
(5Z,13E)-(15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate
(5Z,13E,15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate
(5z,13e)-(15s)-9-alpha,15-dihydroxy-11-oxoprosta-5,13-dienoate
PGD2
prostaglandin D2

kegg.compound:C00696
keggC:C00696
BHMBVRSPMRCCGG-OUTUXVNYSA-N 		Prostaglandin D2
(5Z,13E)-(15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate
(5Z,13E,15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate
PGD2

sabiork.compound:5189
sabiorkM:5189
BHMBVRSPMRCCGG-OUTUXVNYSA-N 		Prostaglandin D2
(5Z,13E)-(15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate
PGD2

SLM:000000427
slm:000000427
BHMBVRSPMRCCGG-OUTUXVNYSA-M 		Prostaglandin D2
PGD2

reactome:R-ALL-2161634
reactomeM:R-ALL-2161634
reactome:R-ALL-416911
reactomeM:R-ALL-416911
reactome:R-ALL-879629
reactomeM:R-ALL-879629
CHEBI:15555
chebi:15555
BHMBVRSPMRCCGG-OUTUXVNYSA-N 		prostaglandin D2
(5Z,13E)-(15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate
(5Z,13E,15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate
(5Z,13E,15S)-9alpha,15-dihydroxy-11-oxoprosta-5,13-dien-1-oic acid
11-Dehydroprostaglandin F2-alpha
PGD2
Prostaglandin D2

metacyc.compound:5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O
metacycM:5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O
BHMBVRSPMRCCGG-OUTUXVNYSA-M 		prostaglandin D2
(5z,13e)-(15s)-9-alpha,15-dihydroxy-11-oxoprosta-5,13-dienoate

hmdb:HMDB01403
chebi:10916
chebi:246
chebi:26321
chebi:45044
biggM:M_prostgd2
keggC:M_C00696
seedM:M_cpd00527 		secondary/obsolete/fantasy identifier