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25-hydroxycholesterol sulfate

PropertiesImage
MNX_IDMNXM1132103 Image of MNXM1132103
referencechebi:233863
formulaC27H46O5S
global charge0
mol weight482.727
InChIKeyPIUZYOCNZPYXOA-ZHHJOTBYSA-N
InChIInChI=1S/C27H46O5S/c1-18(7-6-14-25(2,3)28)22-10-11-23-21-9-8-19-17-20(32-33(29,30)31)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28H,6-7,9-17H2,1-5H3,(H,29,30,31)/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
SMILESC[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C27H46O5S/c1-18(7-6-14-25(2,3)28)22-10-11-23-21-9-8-19-17-20(32-33(29,30)31)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28H,6-7,9-17H2,1-5H3,(H,29,30,31)/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1 Image of MNXM1132103
SMILES (mnx)[CH3:1][C@H:18]([CH2:7][CH2:6][CH2:14][C:25]([CH3:2])([CH3:3])[OH:28])[C@H:22]1[CH2:10][CH2:11][C@H:23]2[C@@H:21]3[CH2:9][CH:8]=[C:19]4[CH2:17][C@@H:20]([O:32][S:33]([OH:29])(=[O:30])=[O:31])[CH2:12][CH2:15][C@:26]4([CH3:4])[C@H:24]3[CH2:13][CH2:16][C@:27]12[CH3:5]
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

CHEBI:233863
chebi:233863
PIUZYOCNZPYXOA-ZHHJOTBYSA-N 		25-hydroxycholesterol sulfate
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulate

lipidmaps:LMST05020064
lipidmapsM:LMST05020064
PIUZYOCNZPYXOA-ZHHJOTBYSA-N 		25-hydroxy-cholesterol 3-sulfate
25HC3S
Cholest-5-en-3beta,25-diol 3-sulfate
O2
S
ST 27:1
hmdb:HMDB0259391
PIUZYOCNZPYXOA-UHFFFAOYSA-N 		5-Cholesten-3beta-25-diol-3-sulfate
5-Cholesten-3b-25-diol-3-sulfate
5-Cholesten-3b-25-diol-3-sulfuric acid
5-Cholesten-3b-25-diol-3-sulphate
5-Cholesten-3b-25-diol-3-sulphuric acid
5-Cholesten-3beta-25-diol-3-sulfuric acid
5-Cholesten-3beta-25-diol-3-sulphate
5-Cholesten-3beta-25-diol-3-sulphuric acid
[14-(6-Hydroxy-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0,.0,]heptadec-7-en-5-yl]oxidanesulfonate
[14-(6-Hydroxy-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0,.0,]heptadec-7-en-5-yl]oxidanesulphonate
[14-(6-Hydroxy-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0,.0,]heptadec-7-en-5-yl]oxidanesulphonic acid
[14-(6-hydroxy-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxidanesulfonic acid

kegg.drug:D12170
keggD:D12170
PIUZYOCNZPYXOA-ZHHJOTBYSA-N 		Larsucosterol (USAN/INN)

keggD:M_D12170 		secondary/obsolete/fantasy identifier