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4beta,24S-dihydroxycholesterol

PropertiesImage
MNX_IDMNXM146974 Image of MNXM146974
referencechebi:86087
formulaC27H46O3
global charge0
mol weight418.662
InChIKeyIWXJGKGAPXGSCN-GCUSXLOISA-N
InChIInChI=1S/C27H46O3/c1-16(2)23(28)11-6-17(3)19-9-10-20-18-7-8-22-25(30)24(29)13-15-27(22,5)21(18)12-14-26(19,20)4/h8,16-21,23-25,28-30H,6-7,9-15H2,1-5H3/t17-,18+,19-,20+,21+,23+,24+,25-,26-,27-/m1/s1
SMILESCC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C27H46O3/c1-16(2)23(28)11-6-17(3)19-9-10-20-18-7-8-22-25(30)24(29)13-15-27(22,5)21(18)12-14-26(19,20)4/h8,16-21,23-25,28-30H,6-7,9-15H2,1-5H3/t17-,18+,19-,20+,21+,23+,24+,25-,26-,27-/m1/s1 Image of MNXM146974
SMILES (mnx)[CH3:1][CH:16]([CH3:2])[C@H:23]([CH2:11][CH2:6][C@@H:17]([CH3:3])[C@H:19]1[CH2:9][CH2:10][C@H:20]2[C@@H:18]3[CH2:7][CH:8]=[C:22]4[C@@H:25]([OH:30])[C@@H:24]([OH:29])[CH2:13][CH2:15][C@:27]4([CH3:5])[C@H:21]3[CH2:12][CH2:14][C@:26]12[CH3:4])[OH:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:86087
chebi:86087
IWXJGKGAPXGSCN-GCUSXLOISA-N 		4beta,24S-dihydroxycholesterol
(3beta,4beta,24S)-cholest-5-ene-3,4,24-triol
cholest-5-ene-3beta,4beta,24S-triol

SLM:000485350
slm:000485350
IWXJGKGAPXGSCN-GCUSXLOISA-N 		4beta,24S-dihydroxycholesterol
hmdb:HMDB0062675
IWXJGKGAPXGSCN-GCUSXLOISA-N 		4beta,24S-dihydroxycholesterol
(1S,2R,5S,6R,10S,11S,14R,15R)-14-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,6-diol
(3b,4b,24S)-Cholest-5-ene-3,4,24-triol
(3beta,4beta,24S)-Cholest-5-ene-3,4,24-triol
(3beta,4beta,24S)-cholest-5-ene-3,4,24-triol
4b,24S-Dihydroxycholesterol

hmdb:HMDB62675 		secondary/obsolete/fantasy identifier