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(25R)-5beta-cholestane-3alpha,7alpha,26-triol

MNXM726829 is deprecated and replaced by MNXM1103845
PropertiesImage
MNX_IDMNXM1103845 Image of MNXM1103845
referencemetacycM:CPD-10586
formulaC27H48O3
global charge0
mol weight420.678
InChIKeyOQIJRBFRXGIHMI-WKNWCLFJSA-N
InChIInChI=1S/C27H48O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h17-25,28-30H,5-16H2,1-4H3/t17-,18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1
SMILESC[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C27H48O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h17-25,28-30H,5-16H2,1-4H3/t17-,18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1 Image of MNXM1103845
SMILES (mnx)[CH3:1][C@H:17]([CH2:6][CH2:5][CH2:7][C@@H:18]([CH3:2])[C@H:21]1[CH2:8][CH2:9][C@H:22]2[C@H:25]3[C@H:23]([CH2:11][CH2:13][C@:27]12[CH3:4])[C@@:26]1([CH3:3])[CH2:12][CH2:10][C@@H:20]([OH:29])[CH2:14][C@H:19]1[CH2:15][C@H:24]3[OH:30])[CH2:16][OH:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 12
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-10586
metacycM:CPD-10586
seed.compound:cpd22725
seedM:cpd22725
OQIJRBFRXGIHMI-WKNWCLFJSA-N 		(25R)-5beta-cholestane-3alpha,7alpha,26-triol

bigg.metabolite:xol7ah3
biggM:xol7ah3
OQIJRBFRXGIHMI-UGMUFZQESA-N 		3alpha,7alpha,26-Trihydroxy-5beta-cholestane

sabiork.compound:7916
sabiorkM:7916
kegg.compound:C05444
keggC:C05444
OQIJRBFRXGIHMI-UGMUFZQESA-N 		3alpha,7alpha,26-Trihydroxy-5beta-cholestane
5beta-Cholestane-3alpha,7alpha,26-triol

seed.compound:cpd03227
seedM:cpd03227
OQIJRBFRXGIHMI-UGMUFZQESA-N 		5beta-Cholestane-3alpha,7alpha,26-triol
3alpha,7alpha,26-Trihydroxy-5beta-cholestane

lipidmaps:LMST04030020
lipidmapsM:LMST04030020
OQIJRBFRXGIHMI-UGMUFZQESA-N 		5beta-Cholestane-3alpha,7alpha,26-triol
O3
ST 27:0

vmhM:xol7ah3
vmhmetabolite:xol7ah3
OQIJRBFRXGIHMI-PSOGGPOFSA-N 		5beta-cholestane-3alpha,7alpha,26-triol
(2S,5R,9R,15R)-14-[(2R)-7-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,9-diol

reactome:R-ALL-193387
reactomeM:R-ALL-193387
reactome:R-ALL-193842
reactomeM:R-ALL-193842
CHEBI:28540
chebi:28540
OQIJRBFRXGIHMI-UGMUFZQESA-N 		5beta-cholestane-3alpha,7alpha,26-triol
3alpha,7alpha,26-Trihydroxy-5beta-cholestane
3alpha,7alpha,26-trihydroxy-5beta-cholestane
5beta-Cholestane-3alpha,7alpha,26-triol
5beta-cholestan-3alpha,7alpha,26-triol
Cholestane-3,7,26-triol

chebi:1702
chebi:20226
biggM:M_xol7ah3
keggC:M_C05444
seedM:M_cpd03227
seedM:M_cpd22725
vmhM:M_xol7ah3 		secondary/obsolete/fantasy identifier