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

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prostaglandin E1

	Properties	Image
MNX_ID	MNXM730388
reference	chebi:57397
formula	C₂₀H₃₃O₅
global charge	-1
mol weight	353.479
InChIKey	GMVPRGQOIOIIMI-DWKJAMRDSA-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/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/p-1/b13-12+/t15-,16+,17+,19+/m0/s1
SMILES	CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-]

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/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,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][CH2:7][CH2:4][CH2:5][CH2:8][CH2:11][C:20](=[O:24])[OH:25])[C:18](=[O: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)	16
in models (compartimentalized)	17

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57397 chebi:57397 GMVPRGQOIOIIMI-DWKJAMRDSA-M	prostaglandin E1 (13E,15S)-11alpha,15-dihydroxy-9-oxoprost-13-en-1-oate prostaglandin E1(1-)
sabiork.compound:7532 sabiorkM:7532 GMVPRGQOIOIIMI-DWKJAMRDSA-N	(13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate Prostaglandin E1
kegg.drug:D00180 keggD:D00180 GMVPRGQOIOIIMI-DWKJAMRDSA-N	Alprostadil (JP18/USP/INN) Caverject (TN) Edex (TN) Muse (TN) Prostin VR pediatric (TN)
seed.compound:cpd02889 seedM:cpd02889 GMVPRGQOIOIIMI-DWKJAMRDSA-M	Alprostadil (13E)-(15S)-11-alpha,15-dihydroxy-9-oxoprost-13-enoate (13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate PGE1 Prostaglandin E1 alprostadil prostglandin E1
kegg.compound:C04741 keggC:C04741 GMVPRGQOIOIIMI-DWKJAMRDSA-N	Alprostadil (13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate PGE1 Prostaglandin E1
lipidmaps:LMFA03010134 lipidmapsM:LMFA03010134 GMVPRGQOIOIIMI-DWKJAMRDSA-N	PGE1 9-oxo-11R,15S-dihydroxy-13E-prostaenoic acid FA 20:3 O3 Prostaglandin E1
bigg.metabolite:prostge1 biggM:prostge1 GMVPRGQOIOIIMI-DWKJAMRDSA-M	Prostaglandin E1
hmdb:HMDB0001442 GMVPRGQOIOIIMI-DWKJAMRDSA-N	Prostaglandin E1 (+)-3-Hydroxy-2-(3-hydroxy-1-octenyl)-5-oxo-cyclopentaneheptanoate (+)-3-Hydroxy-2-(3-hydroxy-1-octenyl)-5-oxo-cyclopentaneheptanoic acid (-)-3-Hydroxy-2-(3-hydroxy-1-octenyl)-5-oxo-cyclopentaneheptanoate (-)-3-Hydroxy-2-(3-hydroxy-1-octenyl)-5-oxo-cyclopentaneheptanoic acid (-)-Prostaglandin e1 (11a,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-en-1-Oate (11a,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-en-1-Oic acid (11alpha,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-en-1-Oate (11alpha,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-en-1-Oic acid (11alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-Oate (11alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-Oic acid (13E)-(15S)-11,15-Dihydroxy-9-oxoprost-13-enoate (13E)-(15S)-11,15-Dihydroxy-9-oxoprost-13-enoic acid (13E)-(15S)-11-alpha,15-Dihydroxy-9-oxoprost-13-enoate (13E)-(15S)-11-alpha,15-Dihydroxy-9-oxoprost-13-enoic acid (13E)-(15S)-11a,15-Dihydroxy-9-oxoprost-13-enoate (13E)-(15S)-11a,15-Dihydroxy-9-oxoprost-13-enoic acid (13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate (13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoic acid (13E)-(15S)-11alpha,15-dihydroxy-9-oxoprost-13-enoate (13E)-(15S)-11alpha,15-dihydroxy-9-oxoprost-13-enoic acid 11,15-Dihydroxy-9-oxoprost-13-en-1-Oate 11,15-Dihydroxy-9-oxoprost-13-en-1-Oic acid 11,15-Dihydroxy-9-oxoprost-13-en-1-Oic acid (acd/name 4.0) 11a,15a-Dihydroxy-9-oxo-13-trans-prostenoate 11a,15a-Dihydroxy-9-oxo-13-trans-prostenoic acid 11alpha,15alpha-Dihydroxy-9-oxo-13-trans-prostenoate 11alpha,15alpha-Dihydroxy-9-oxo-13-trans-prostenoic acid 11alpha,15alpha-dihydroxy-9-oxo-13-trans-prostenoate 11alpha,15alpha-dihydroxy-9-oxo-13-trans-prostenoic acid 3-Hydroxy-2-(3-hydroxy-1-octenyl)-5-oxo-cyclopentaneheptanoate 3-Hydroxy-2-(3-hydroxy-1-octenyl)-5-oxo-cyclopentaneheptanoic acid 7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid Abbott brand OF alprostadil Allphar brand OF alprostadil Alprostadil Alprostadil prostoglandin e1 Alprostadil(usan) Alprostadilum Astra brand OF alprostadil AstraZeneca brand OF alprostadil Befar Caverject Caverject impulse Edex Hoyer brand OF alprostadil Janssen brand OF alprostadil L-Prostaglandin e1 Minprog Muse PGE-1 PGE1 PGE1alpha Paladin brand OF alprostadil Pharmacia brand 1 OF alprostadil Pharmacia brand 2 OF alprostadil Prink Prostaglandin e1 Prostaglandin e1alpha Prostavasin Prostin VR Prostin VR pediatric Prostine VR Schwarz brand OF alprostadil Schwarz pharma brand OF alprostadil Sugiran U-10136alprostadil U-10136prostin Vasaprostan Viridal Vitaros Vivus brand OF alprostadil alprostadil lipo PGE1 lipo-PGE1
SLM:000390038 slm:000390038 GMVPRGQOIOIIMI-DWKJAMRDSA-M	Prostaglandin E1 PGE1
vmhM:prostge1 vmhmetabolite:prostge1 GMVPRGQOIOIIMI-DWKJAMRDSA-M	prostaglandin E1(1-) 7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid
reactome:R-ALL-879519 reactomeM:R-ALL-879519 reactome:R-ALL-879611 reactomeM:R-ALL-879611 CHEBI:15544 chebi:15544 GMVPRGQOIOIIMI-DWKJAMRDSA-N	prostaglandin E1 (11alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oic acid (13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate (13E,15S)-11alpha,15-dihydroxy-9-oxoprost-13-en-1-oic acid 11alpha,15alpha-dihydroxy-9-oxo-13-trans-prostenoic acid Alprostadil Befar Caverject Edex Muse PGE-1 PGE1 Prostaglandin E1 Prostin VR alprostadil alprostadilum
metacyc.compound:ALPROSTADIL metacycM:ALPROSTADIL GMVPRGQOIOIIMI-DWKJAMRDSA-M	prostaglandin E1 (13E)-(15S)-11-alpha,15-dihydroxy-9-oxoprost-13-enoate alprostadil
hmdb:HMDB01442 chebi:10820 chebi:142 chebi:26322 biggM:M_prostge1 keggC:M_C04741 keggD:M_D00180 seedM:M_cpd02889 vmhM:M_prostge1	secondary/obsolete/fantasy identifier