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(25R)-7alpha,26-dihydroxycholest-4-en-3-one

PropertiesImage
MNX_IDMNXM1103706 Image of MNXM1103706
referencechebi:87476
formulaC27H44O3
global charge0
mol weight416.646
InChIKeyKVJVJJWIEXCECB-OICBIKJFSA-N
InChIInChI=1S/C27H44O3/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/h14,17-18,21-25,28,30H,5-13,15-16H2,1-4H3/t17-,18-,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)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C27H44O3/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/h14,17-18,21-25,28,30H,5-13,15-16H2,1-4H3/t17-,18-,21-,22+,23+,24-,25+,26+,27-/m1/s1 Image of MNXM1103706
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:20](=[O:29])[CH:14]=[C: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)7
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:87476
chebi:87476
KVJVJJWIEXCECB-OICBIKJFSA-N 		(25R)-7alpha,26-dihydroxycholest-4-en-3-one
(25R)-7-alpha,26-dihydroxycholest-4-en-3-one
(7alpha,25R)-7,26-dihydroxycholest-4-en-3-one

SLM:000501285
slm:000501285
KVJVJJWIEXCECB-OICBIKJFSA-N 		(25R)-7alpha,26-dihydroxycholest-4-en-3-one
hmdb:HMDB0062610
KVJVJJWIEXCECB-OICBIKJFSA-N 		(25R)-7alpha,26-dihydroxycholest-4-en-3-one
(1S,2R,9R,10S,11S,14R,15R)-9-hydroxy-14-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
(25R)-7a,26-Dihydroxycholest-4-en-3-one
(7a,25R)-7,26-Dihydroxycholest-4-en-3-one
(7alpha,25R)-7,26-Dihydroxycholest-4-en-3-one
(7alpha,25R)-7,26-dihydroxycholest-4-en-3-one
7alpha,27-Dihydroxy-4-cholesten-3-one
Cytosterone
metatlas:MAM00979
KVJVJJWIEXCECB-GWUAJDSISA-N 		4-cholesten-7alpha,27-diol-3-one
hmdb:HMDB0012459
KVJVJJWIEXCECB-JZGXDVPNSA-N 		7 alpha,26-Dihydroxy-4-cholesten-3-one
(2R,9R,15R)-9-hydroxy-14-[(2R)-7-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one
(7alpha)-7,26-Dihydroxy-cholest-4-en-3-one
4-Cholesten-7alpha,26-diol-3-one
7 a,26-Dihydroxy-4-cholesten-3-one
7 alpha,26-dihydroxy-4-cholesten-3-one
7,26-Dhxyclso
7alpha,26-Dihydroxy-4-cholesten-3-one
7alpha,26-Dihydroxycholest-4-en-3-one

bigg.metabolite:M00979
biggM:M00979
vmhM:axolonealc
vmhM:axolonealc
vmhmetabolite:axolonealc
vmhmetabolite:axolonealc
KVJVJJWIEXCECB-JZGXDVPNSA-N
KVJVJJWIEXCECB-OICBIKJFSA-N 		7Alpha,26-Dihydroxycholest-4-En-3-One

lipidmaps:LMST01010463
lipidmapsM:LMST01010463
KVJVJJWIEXCECB-OICBIKJFSA-N 		7alpha,(25R)26-Dihydroxycholest-4-en-3-one
(25R)-7alpha,26-Dihydroxycholest-4-en-3-one
O3
ST 27:2

seed.compound:cpd17478
seedM:cpd17478
kegg.compound:C17336
keggC:C17336
KVJVJJWIEXCECB-GWUAJDSISA-N 		7alpha,26-Dihydroxy-4-cholesten-3-one

reactome:R-ALL-193835
CHEBI:48825
chebi:48825
KVJVJJWIEXCECB-GWUAJDSISA-N 		7alpha,26-dihydroxycholest-4-en-3-one
4-cholesten-7alpha,26-diol-3-one

lipidmaps:LMST04030157
lipidmapsM:LMST04030157
KVJVJJWIEXCECB-GWUAJDSISA-N 		7alpha,26-dihydroxycholest-4-en-3-one
4-cholesten-7alpha,26-diol-3-one
7alpha,26-dihydroxycholest-4-en-3-one
O3
ST 27:2

hmdb:HMDB12459
hmdb:HMDB62610
vmhM:M00979
vmhM:M00979
biggM:M_M00979
keggC:M_C17336
seedM:M_cpd17478
vmhM:M_axolonealc 		secondary/obsolete/fantasy identifier