MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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prostaglandin F2alpha

	Properties	Image
MNX_ID	MNXM1364070
reference	chebi:57404
formula	C₂₀H₃₃O₅
global charge	-1
mol weight	353.479
InChIKey	PXGPLTODNUVGFL-YNNPMVKQSA-M
InChI	InChI=1S/C20H34O5/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/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/p-1/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
SMILES	CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@@H](O)C[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C20H34O5/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/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
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@H:19]1[OH:23])[OH:21]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	29
in models (compartimentalized)	24

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57404 chebi:57404 PXGPLTODNUVGFL-YNNPMVKQSA-M	prostaglandin F2alpha (5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dien-1-oate prostaglandin F2alpha anion prostaglandin F2alpha(1-)
kegg.drug:D00081 keggD:D00081 PXGPLTODNUVGFL-YNNPMVKQSA-N	Dinoprost (JP18/USAN/INN) Prosmon (TN)
lipidmaps:LMFA03010006 lipidmapsM:LMFA03010006 PXGPLTODNUVGFL-YNNPMVKQSA-N	PGF2alpha-d4 9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid (3,3,4,4-d4) Prostaglandin F2alpha-d4
lipidmaps:LMFA03010002 lipidmapsM:LMFA03010002 PXGPLTODNUVGFL-YNNPMVKQSA-N	PGF2alpha 9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid Amoglandin Cyclosin Dinoprost Enzaprost FA 20:3 O3 Prostaglandin F2a Prostaglandin F2alpha
seed.compound:cpd00488 seedM:cpd00488 PXGPLTODNUVGFL-YNNPMVKQSA-M	PGF2a (+)-Prostaglandin F2a (+)-prostaglandin F2a (5Z,13E)-(15S)-9,11,15-trihydroxyprosta-5,13-dienoate (5Z,13E)-(15S)-9alpha,11alpha,15-Trihydroxyprosta-5,13-dienoate (5Z,9alpha,11alpha,13E,15S)-9,11,15-Trihydroxyprosta-5,13-dienoate (5z,13e)-(15s)-9-alpha,11-alpha,15-trihydroxyprosta-5,13-dienoate 7-[3, 5-dihydroxy-2-(3-hydroxyl-1-octenyl) cyclopentyl]-5-heptenoic acid 7-[3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-5-heptenoic acid 9,11,15-Trihydroxy-(5Z,9a,11a,13E,15S)-prosta-5,13-dien-1-oic acid 9a,11a-PGF2 Amoglandin Cyclosin Dinaprost Dinoprost Enzaprost Enzaprost F Panacelan Prostaglandin F2 Prostaglandin F2a Prostaglandin F2alpha Prostarmon F Prostin F 2 alpha Prostin F2 alpha Protamodin U 14583 amoglandin cyclosin dinaprost dinoprost enzaprost enzaprost F panacelan prostaglandin F2 prostaglandin F2alpha prostarmon F prostin F2alpha protamodin
sabiork.compound:22943 sabiorkM:22943 PXGPLTODNUVGFL-YNNPMVKQSA-N	Prostaglandin F2
bigg.metabolite:prostgf2 biggM:prostgf2 PXGPLTODNUVGFL-YNNPMVKQSA-M	Prostaglandin F2alpha
kegg.compound:C00639 keggC:C00639 PXGPLTODNUVGFL-YNNPMVKQSA-N	Prostaglandin F2alpha (+)-Prostaglandin F2a (5Z,13E)-(15S)-9alpha,11alpha,15-Trihydroxyprosta-5,13-dienoate (5Z,9alpha,11alpha,13E,15S)-9,11,15-Trihydroxyprosta-5,13-dienoate 7-[3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-5-heptenoic acid 9,11,15-Trihydroxy-(5Z,9a,11a,13E,15S)-prosta-5,13-dien-1-oic acid 9a,11a-PGF2 Amoglandin Cyclosin Dinoprost Enzaprost Enzaprost F PGF2a Panacelan Prostaglandin F2a Prostin F 2 alpha Protamodin U 14583
sabiork.compound:5165 sabiorkM:5165 PXGPLTODNUVGFL-YNNPMVKQSA-N	Prostaglandin F2alpha (+)-Prostaglandin F2a (5Z,13E)-(15S)-9alpha,11alpha,15-Trihydroxyprosta-5,13-dienoate 7-[3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-5-heptenoic acid 7-[3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-5-heptenoicacid 9,11,15-Trihydroxy-(5Z,9a,11a,13E,15S)-prosta-5,13-dien-1-oic acid 9a,11a-PGF2 Amoglandin Cyclosin Dinoprost Enzaprost Enzaprost F PGF2a Panacelan Prostaglandin F2a Prostin F 2 alpha Protamodin U 14583
hmdb:HMDB0001139 PXGPLTODNUVGFL-YNNPMVKQSA-M	Prostaglandin F2a (+)-Prostaglandin F2a (5E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]hept-5-enoic acid (5Z,13E)-(15S)-9-alpha,11-alpha,15-Trihydroxyprosta-5,13-dienoate (5Z,13E)-(15S)-9-alpha,11-alpha,15-Trihydroxyprosta-5,13-dienoic acid (5Z,13E,15S)-9a,11a,15-Trihydroxyprosta-5,13-dien-1-Oate (5Z,13E,15S)-9a,11a,15-Trihydroxyprosta-5,13-dien-1-Oic acid (5Z,9a,11a,13E,15S)-9,11,15-Trihydroxy-prosta-5,13-dien-1-Oate (5Z,9a,11a,13E,15S)-9,11,15-Trihydroxy-prosta-5,13-dien-1-Oic acid (9alpha,11alpha,15)-Trihydroxyprosta-(5Z,13E)-dien-1-Oate (9alpha,11alpha,15)-Trihydroxyprosta-(5Z,13E)-dien-1-Oic acid 5-trans-PGF2alpha 7-[3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-5-heptenoate 7-[3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-5-heptenoic acid 9,11,15-Trihydroxy-(5Z,9a,11a,13E,15S)-prosta-5,13-dien-1-Oate 9,11,15-Trihydroxy-(5Z,9a,11a,13E,15S)-prosta-5,13-dien-1-Oic acid 9,11,15-Trihydroxyprosta-5Z,13E-dien-1-Oate 9,11,15-Trihydroxyprosta-5Z,13E-dien-1-Oic acid 9a,11a,15(S)-Trihydroxy-5-cis-13-trans-prostadienoate 9a,11a,15(S)-Trihydroxy-5-cis-13-trans-prostadienoic acid 9a,11a-PGF2 9a,11a-PGF2a 9alpha,11beta PGF2 9alpha,11beta-PGF2 Amoglandin Cyclosin Dinifertin Dinoprost Enzaprost Enzaprost F Estrofan F2 alpha, Prostaglandin F2a Isoprostane F2alpha, Prostaglandin Glandin N L-PGF2-alpha L-Prostaglandin F2-alpha PGF2 PGF2 alpha PGF2a PGF2alpha Panacelan Prostaglandin F2 Prostaglandin F2 alpha Prostaglandin F2alpha Prostamate Prostarmon F Prostin F 2 alpha Protamodin alpha, PGF2
SLM:000000437 slm:000000437 PXGPLTODNUVGFL-YNNPMVKQSA-M	Prostaglandin F2 PGF2
vmhM:prostgf2 vmhmetabolite:prostgf2 PXGPLTODNUVGFL-YNNPMVKQSA-M	prostaglandin F2alpha(1-) (5E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]hept-5-enoic acid
reactome:R-ALL-391928 reactomeM:R-ALL-391928 reactome:R-ALL-879535 reactomeM:R-ALL-879535 reactome:R-ALL-879657 reactomeM:R-ALL-879657 CHEBI:15553 chebi:15553 PXGPLTODNUVGFL-YNNPMVKQSA-N	prostaglandin F2alpha (+)-Prostaglandin F2a (5Z,13E)-(15S)-9alpha,11alpha,15-Trihydroxyprosta-5,13-dienoate (5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dien-1-oic acid 7-[3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-5-heptenoic acid 9,11,15-Trihydroxy-(5Z,9a,11a,13E,15S)-prosta-5,13-dien-1-oic acid 9a,11a-PGF2 Amoglandin Cyclosin Dinoprost Enzaprost Enzaprost F PGF2a PGF2alpha Panacelan Prostaglandin F2a Prostaglandin F2alpha Prostin F 2 alpha Protamodin U 14583 dinoprost dinoprosta dinoprostum l-PGF2-alpha l-Prostaglandin F2-alpha
metacyc.compound:5Z13E-15S-9-ALPHA11-ALPHA15-TRIHY metacycM:5Z13E-15S-9-ALPHA11-ALPHA15-TRIHY PXGPLTODNUVGFL-YNNPMVKQSA-M	prostaglandin F2alpha (+)-prostaglandin F2a (5Z,13E,15S)-9,11,15-trihydroxyprosta-5,13-dienoate (5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dienoate 7-[3, 5-dihydroxy-2-(3-hydroxyl-1-octenyl) cyclopentyl]-5-heptenoic acid Dinaprost Enzaprost Enzaprost F PGF2a Prostaglandin F2 Prostaglandin F2a Prostarmon F Prostin F2 alpha Protamodin amoglandin cyclosin dinoprost panacelan prostin F2alpha
hmdb:HMDB01139 chebi:10913 chebi:26327 chebi:8516 biggM:M_prostgf2 keggC:M_C00639 keggD:M_D00081 seedM:M_cpd00488 vmhM:M_prostgf2	secondary/obsolete/fantasy identifier