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prostaglandin B1

PropertiesImage
MNX_IDMNXM78287 Image of MNXM78287
referencechebi:133393
formulaC20H31O4
global charge-1
mol weight335.464
InChIKeyYBHMPNRDOVPQIN-VSOYFRJCSA-M
InChIInChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,17,21H,2-11,13,15H2,1H3,(H,23,24)/p-1/b14-12+/t17-/m0/s1
SMILESCCCCC[C@H](O)/C=C/C1=C(CCCCCCC(=O)[O-])C(=O)CC1
MNX internals
InChI (mnx)InChI=1/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,17,21H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t17-/m0/s1 Image of MNXM78287
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:6][CH2:9][C@@H:17](/[CH:14]=[CH:12]/[C:16]1=[C:18]([CH2:10][CH2:7][CH2:4][CH2:5][CH2:8][CH2:11][C:20](=[O:23])[OH:24])[C:19](=[O:22])[CH2:15][CH2:13]1)[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 8
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133393
chebi:133393
YBHMPNRDOVPQIN-VSOYFRJCSA-M 		prostaglandin B1
(13E,15S)-15-hydroxy-9-oxoprosta-8(12),13-dien-1-oate
PGB1
Prostaglandin B1
prostaglandin B1(1-)

lipidmaps:LMFA03010131
lipidmapsM:LMFA03010131
YBHMPNRDOVPQIN-VSOYFRJCSA-N 		PGB1
9-oxo-15S-hydroxy-8(12),13E-prostadienoic acid
FA 20:4
O2
Prostaglandin B1, PGE1-278

sabiork.compound:5337
sabiorkM:5337
YBHMPNRDOVPQIN-VSOYFRJCSA-N 		Prostaglandin B1
hmdb:HMDB0002982
YBHMPNRDOVPQIN-VSOYFRJCSA-N 		Prostaglandin B1
(13E,15S)-15-Hydroxy-9-oxoprosta-8(12),13-dien-1-Oate
(13E,15S)-15-Hydroxy-9-oxoprosta-8(12),13-dien-1-Oic acid
7-{2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-1-en-1-yl}heptanoic acid
9-oxo-15S-Hydroxy-8(12),13E-prostadienoate
9-oxo-15S-Hydroxy-8(12),13E-prostadienoic acid
PGB1
Prostaglandin b1
Prostaglandin-b1
prostaglandin-B1

seed.compound:cpd00707
seedM:cpd00707
kegg.compound:C00959
keggC:C00959
YBHMPNRDOVPQIN-VSOYFRJCSA-M
YBHMPNRDOVPQIN-VSOYFRJCSA-N 		Prostaglandin B1
PGB1

bigg.metabolite:HC02204
biggM:HC02204
YBHMPNRDOVPQIN-VSOYFRJCSA-M 		Prostaglandin-b1

metacyc.compound:CPD-22743
metacycM:CPD-22743
YBHMPNRDOVPQIN-VSOYFRJCSA-M 		prostaglandin B1
(13E,15S)-15-hydroxy-9-oxoprosta-8(12),13-dien-1-oate

CHEBI:27624
chebi:27624
YBHMPNRDOVPQIN-VSOYFRJCSA-N 		prostaglandin B1
(13E,15S)-15-hydroxy-9-oxoprosta-8(12),13-dien-1-oic acid
PGB1
Prostaglandin B1

vmhM:HC02204
vmhmetabolite:HC02204
YBHMPNRDOVPQIN-VSOYFRJCSA-M 		prostaglandin-b1
7-{2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-1-en-1-yl}heptanoic acid

hmdb:HMDB02982
chebi:26316
chebi:8506
biggM:M_HC02204
keggC:M_C00959
seedM:M_cpd00707
vmhM:M_HC02204 		secondary/obsolete/fantasy identifier