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Prostaglandin H1

Properties

Image

Occurences in reactions

MNX_ID

MNXM740264

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	2

formula

C₂₀H₃₃O₅

charge

-1

mass

353.479

reference

biggM:CE6234

InChIKey

NTAYABHEVAQSJS-NDWDMBLISA-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
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)
hmdb:HMDB13041 biggM:M_CE6234	secondary/obsolete/fantasy identifier