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25-hydroxycholesterol

PropertiesImage
MNX_IDMNXM740834 Image of MNXM740834
referencechebi:42977
formulaC27H46O2
global charge0
mol weight402.663
InChIKeyINBGSXNNRGWLJU-ZHHJOTBYSA-N
InChIInChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/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](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1 Image of MNXM740834
SMILES (mnx)[CH3:1][C@H:18]([CH2:7][CH2:6][CH2:14][C:25]([CH3:2])([CH3:3])[OH:29])[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]([OH:28])[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)16
in models (compartimentalized) 10
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-192148
reactomeM:R-ALL-192148
reactome:R-ALL-8868393
reactomeM:R-ALL-8868393
reactome:R-ALL-8868399
reactomeM:R-ALL-8868399
reactome:R-ALL-8868400
reactomeM:R-ALL-8868400
CHEBI:42977
chebi:42977
INBGSXNNRGWLJU-ZHHJOTBYSA-N 		25-hydroxycholesterol
25-Hydroxycholesterol
5-Cholestene-3beta,25-diol
Cholest-5-ene-3beta,25-diol
cholest-5-ene-3beta,25-diol

bigg.metabolite:xol25oh
biggM:xol25oh
INBGSXNNRGWLJU-ZHHJOTBYSA-N 		25-Hydroxycholesterol

seed.compound:cpd11199
seedM:cpd11199
INBGSXNNRGWLJU-ZHHJOTBYSA-N 		25-Hydroxycholesterol
25-hydroxycholesterol
Cholest-5-ene-3beta,25-diol
cholest-5-ene-3beta,25-diol

kegg.compound:C15519
keggC:C15519
INBGSXNNRGWLJU-ZHHJOTBYSA-N 		25-Hydroxycholesterol
Cholest-5-ene-3beta,25-diol

lipidmaps:LMST01010002
lipidmapsM:LMST01010002
INBGSXNNRGWLJU-ZHHJOTBYSA-N 		25-hydroxy-cholesterol(d3)
cholest-5-en-3beta,25-diol(d3)

lipidmaps:LMST01010146
lipidmapsM:LMST01010146
INBGSXNNRGWLJU-ZHHJOTBYSA-N 		25-hydroxy-cholesterol(d6)
cholest-5-en-3beta,25-diol(d6)

lipidmaps:LMST01010018
lipidmapsM:LMST01010018
INBGSXNNRGWLJU-ZHHJOTBYSA-N 		25-hydroxy-cholesterol
25-OHC
O2
ST 27:1
cholest-5-en-3beta,25-diol

SLM:000000818
slm:000000818
INBGSXNNRGWLJU-ZHHJOTBYSA-N 		25-hydroxycholesterol

vmhM:xol25oh
vmhmetabolite:xol25oh
INBGSXNNRGWLJU-ZHHJOTBYSA-N 		25-hydroxycholesterol
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

metacyc.compound:CPD-7285
metacycM:CPD-7285
INBGSXNNRGWLJU-ZHHJOTBYSA-N 		25-hydroxycholesterol
cholest-5-ene-3beta,25-diol

sabiork.compound:23344
sabiorkM:23344
INBGSXNNRGWLJU-ZHHJOTBYSA-N 		Cholest-5-ene-3beta,25-diol

chebi:37616
chebi:42972
biggM:M_xol25oh
keggC:M_C15519
seedM:M_cpd11199
vmhM:M_xol25oh 		secondary/obsolete/fantasy identifier