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prostaglandin H1

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM740264

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	4

formula

C₂₀H₃₃O₅

charge

-1

mass

353.479

reference

chebi:90793

InChIKey

NTAYABHEVAQSJS-CDIPTNKSSA-M

InChI

InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h12-13,15-19,21H,2-11,14H2,1H3,(H,22,23)/p-1/b13-12+/t15-,16+,17+,18-,19+/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][CH2:7][CH2:4][CH2:5][CH2:8][CH2:11][C:20](=[O:22])[OH:23])[C@@H:18]2[CH2:14][C@H:19]1[O:25][O:24]2)[OH:21]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:90793 chebi:90793	prostaglandin H1 7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}heptanoate prostaglandin H1(1-)
lipidmaps:LMFA03010044 lipidmapsM:LMFA03010044	PGH1 9S,11R-epidioxy-15S-hydroxy-13E-prostaenoic acid FA 20:3 O3 Prostaglandin H1
bigg.metabolite:CE6234 biggM:CE6234	Prostaglandin H1
hmdb:HMDB0013041	Prostaglandin H1 7-[(1S,4R,5S,6S)-6-[(1E,3S)-3-Hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]heptanoate 7-[(1S,4R,5S,6S)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]heptanoic acid 9alpha,11alpha-Epidioxy-15(S)-hydroxy-13-trans-prostenoate 9alpha,11alpha-Epidioxy-15(S)-hydroxy-13-trans-prostenoic acid PGH(,1)
SLM:000501235 slm:000501235	Prostaglandin H1 PGH1
vmhM:CE6234 vmhM:CE6234 vmhmetabolite:CE6234 vmhmetabolite:CE6234	prostaglandin H1
metacyc.compound:CPD-24676 metacycM:CPD-24676	prostaglandin H1 7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}heptanoate 9,11-epi-dioxy-15-hydroxy-(9alpha,11alpha,13E,15S)-prost-13-en-1-oate 9alpha,11alpha-epidioxy-15(S)-hydroxy-13-trans-prostenoate PGH1
CHEBI:91133 chebi:91133	prostaglandin H1 7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}heptanoic acid 9,11-epi-dioxy-15-hydroxy-(9alpha,11alpha,13E,15S)-prost-13-en-1-oic acid 9alpha,11alpha-epidioxy-15(S)-hydroxy-13-trans-prostenoic acid
hmdb:HMDB13041 biggM:M_CE6234	secondary/obsolete/fantasy identifier