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2-hydroxyestrone sulfate

PropertiesImage
MNX_IDMNXM35157 Image of MNXM35157
referencelipidmapsM:LMST05020040
formulaC18H22O6S
global charge0
mol weight366.435
InChIKeyDTMWSKSAMRZGQH-JPVZDGGYSA-N
InChIInChI=1S/C18H22O6S/c1-18-7-6-11-12(14(18)4-5-17(18)20)3-2-10-8-16(24-25(21,22)23)15(19)9-13(10)11/h8-9,11-12,14,19H,2-7H2,1H3,(H,21,22,23)/t11-,12+,14-,18-/m0/s1
SMILESC[C@]12CC[C@@H]3C4=CC(O)=C(OS(=O)(=O)O)C=C4CC[C@H]3[C@@H]1CCC2=O
MNX internals
InChI (mnx)InChI=1/C18H22O6S/c1-18-7-6-11-12(14(18)4-5-17(18)20)3-2-10-8-16(24-25(21,22)23)15(19)9-13(10)11/h8-9,11-12,14,19H,2-7H2,1H3,(H,21,22,23)/t11-,12+,14-,18-/m0/s1 Image of MNXM35157
SMILES (mnx)[CH3:1][C@:18]12[CH2:7][CH2:6][C@H:11]3[C@@H:12]([CH2:3][CH2:2][C:10]4=[CH:8][C:16]([O:24][S:25]([OH:21])(=[O:22])=[O:23])=[C:15]([OH:19])[CH:9]=[C:13]43)[C@@H:14]1[CH2:4][CH2:5][C:17]2=[O:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

lipidmaps:LMST05020040
lipidmapsM:LMST05020040
DTMWSKSAMRZGQH-JPVZDGGYSA-N 		2-hydroxyestrone sulfate
O3
S
ST 18:4
[(13S)-2-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate

CHEBI:175686
chebi:175686
DTMWSKSAMRZGQH-UHFFFAOYSA-N 		2-Hydroxyestrone sulfate
(2-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) hydrogen sulate
hmdb:HMDB0012622
DTMWSKSAMRZGQH-UHFFFAOYSA-N 		2-Hydroxyestrone sulfate
1,3,5(10)-Triene-2,3-diol-17-one 3-sulfate
1,3,5(10)-Triene-2,3-diol-17-one 3-sulphate
2,3-Dihydroxyestra-1,3,5(10)-trien-17-one 3-sulfate
2,3-Dihydroxyestra-1,3,5(10)-trien-17-one 3-sulphate
2-Hydroxyestrone sulfuric acid
2-Hydroxyestrone sulphate
2-Hydroxyestrone sulphuric acid
2HEn-3S
Catecholestrogen sulfate
Catecholestrogen sulphate
{4-hydroxy-15-methyl-14-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-5-yl}oxidanesulfonate
{4-hydroxy-15-methyl-14-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-5-yl}oxidanesulphonate
{4-hydroxy-15-methyl-14-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-5-yl}oxidanesulphonic acid
{4-hydroxy-15-methyl-14-oxotetracyclo[8.7.0.0,.0,]heptadeca-2,4,6-trien-5-yl}oxidanesulfonate
{4-hydroxy-15-methyl-14-oxotetracyclo[8.7.0.0,.0,]heptadeca-2,4,6-trien-5-yl}oxidanesulphonate
{4-hydroxy-15-methyl-14-oxotetracyclo[8.7.0.0,.0,]heptadeca-2,4,6-trien-5-yl}oxidanesulphonic acid
{4-hydroxy-15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-5-yl}oxidanesulfonic acid

hmdb:HMDB12622 		secondary/obsolete/fantasy identifier