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prostaglandin H1

PropertiesImage
MNX_IDMNXM740264 Image of MNXM740264
referencechebi:90793
formulaC20H33O5
global charge-1
mol weight353.479
InChIKeyNTAYABHEVAQSJS-CDIPTNKSSA-M
InChIInChI=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
SMILESCCCCC[C@H](O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)[O-])[C@@H]2C[C@H]1OO2
MNX internals
InChI (mnx)InChI=1/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)/b13-12+/t15-,16+,17+,18-,19+/m0/s1 Image of MNXM740264
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:22])[OH:23])[C@@H:18]2[CH2:14][C@H:19]1[O:25][O:24]2)[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:90793
chebi:90793
NTAYABHEVAQSJS-CDIPTNKSSA-M 		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
NTAYABHEVAQSJS-CDIPTNKSSA-N 		PGH1
9S,11R-epidioxy-15S-hydroxy-13E-prostaenoic acid
FA 20:3
O3
PGR1
Prostaglandin H1
Prostaglandin R1

bigg.metabolite:CE6234
biggM:CE6234
NTAYABHEVAQSJS-CDIPTNKSSA-M 		Prostaglandin H1
hmdb:HMDB0013041
NTAYABHEVAQSJS-CDIPTNKSSA-M 		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
NTAYABHEVAQSJS-CDIPTNKSSA-M 		Prostaglandin H1
PGH1

vmhM:CE6234
vmhmetabolite:CE6234
NTAYABHEVAQSJS-CDIPTNKSSA-M 		prostaglandin H1

metacyc.compound:CPD-24676
metacycM:CPD-24676
NTAYABHEVAQSJS-CDIPTNKSSA-M 		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
NTAYABHEVAQSJS-CDIPTNKSSA-N 		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
vmhM:M_CE6234 		secondary/obsolete/fantasy identifier