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prostaglandin D2

Properties

Image

Occurences in reactions

MNX_ID

MNXM1105793

	#reac
in my sandbox	0
in MNXref (generic)	23
in models (compartimentalized)	23

formula

C₂₀H₃₁O₅

charge

-1

mass

351.463

reference

chebi:57406

InChIKey

BHMBVRSPMRCCGG-OUTUXVNYSA-M

InChI

InChI=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

SMILES

[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]

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57406 chebi:57406	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	PGD2-d4 9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid (3,3,4,4-d4) Prostaglandin D2-d4
lipidmaps:LMFA03010004 lipidmapsM:LMFA03010004	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	Prostaglandin D2
hmdb:HMDB0001403	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	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	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	Prostaglandin D2 (5Z,13E)-(15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate PGD2
SLM:000000427 slm:000000427	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	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	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