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Prostaglandin G1

Properties

Image

Occurences in reactions

MNX_ID

MNXM740262

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	4

formula

C₂₀H₃₃O₆

charge

-1

mass

369.478

reference

biggM:CE6232

InChIKey

QXCRWNZYEVOQMB-NDWDMBLISA-M

InChI

InChI=1S/C20H34O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h12-13,15-19,23H,2-11,14H2,1H3,(H,21,22)/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:21])[OH:22])[C@H:18]2[CH2:14][C@@H:19]1[O:26][O:25]2)[O:24][OH:23]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:CE6232 biggM:CE6232	Prostaglandin G1
hmdb:HMDB0013039	Prostaglandin G1 (9S)-Hydroperoxy-(5Z,7E,11Z,14Z)-eicosatetraenoate (9S)-Hydroperoxy-(5Z,7E,11Z,14Z)-eicosatetraenoic acid 7-[(1S,4R,5S,6S)-6-[(1E,3S)-3-Hydroperoxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]heptanoate 7-[(1S,4R,5S,6S)-6-[(1E,3S)-3-hydroperoxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]heptanoic acid 9S-HPETE 9alpha, 11alpha-Epidioxy-15(S)-hydroperoxy-13-trans-prostenoate 9alpha, 11alpha-Epidioxy-15(S)-hydroperoxy-13-trans-prostenoic acid PGG(,1)
hmdb:HMDB13039 biggM:M_CE6232	secondary/obsolete/fantasy identifier