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(20R,22R)-20,22-dihydroxycholesterol

PropertiesImage
MNX_IDMNXM1200 Image of MNXM1200
referencechebi:1294
formulaC27H46O3
global charge0
mol weight418.662
InChIKeyISBSSBGEYIBVTO-TYKWNDPBSA-N
InChIInChI=1S/C27H46O3/c1-17(2)6-11-24(29)27(5,30)23-10-9-21-20-8-7-18-16-19(28)12-14-25(18,3)22(20)13-15-26(21,23)4/h7,17,19-24,28-30H,6,8-16H2,1-5H3/t19-,20-,21-,22-,23-,24+,25-,26-,27+/m0/s1
SMILESCC(C)CC[C@@H](O)[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/C27H46O3/c1-17(2)6-11-24(29)27(5,30)23-10-9-21-20-8-7-18-16-19(28)12-14-25(18,3)22(20)13-15-26(21,23)4/h7,17,19-24,28-30H,6,8-16H2,1-5H3/t19-,20-,21-,22-,23-,24+,25-,26-,27+/m0/s1 Image of MNXM1200
SMILES (mnx)[CH3:1][CH:17]([CH3:2])[CH2:6][CH2:11][C@H:24]([C@@:27]([CH3:5])([C@H:23]1[CH2:10][CH2:9][C@H:21]2[C@@H:20]3[CH2:8][CH:7]=[C:18]4[CH2:16][C@@H:19]([OH:28])[CH2:12][CH2:14][C@:25]4([CH3:3])[C@H:22]3[CH2:13][CH2:15][C@@:26]21[CH3:4])[OH:30])[OH:29]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-193086
reactomeM:R-ALL-193086
CHEBI:1294
chebi:1294
ISBSSBGEYIBVTO-TYKWNDPBSA-N 		(20R,22R)-20,22-dihydroxycholesterol
(20R,22R)-20,22-Dihydroxycholesterol
(22R)-20alpha,22-Dihydroxycholesterol
(22R)-cholest-5-ene-3beta,20,22-triol
20,22-Dihydroxycholesterol
20alpha,22R-Dihydroxycholesterol
20alpha,22beta-Dihydroxycholesterol

SLM:000390240
slm:000390240
ISBSSBGEYIBVTO-TYKWNDPBSA-N 		(20R,22R)-20,22-dihydroxycholesterol

lipidmaps:LMST01010200
lipidmapsM:LMST01010200
ISBSSBGEYIBVTO-TYKWNDPBSA-N 		(20R,22R)-20,22-dihydroxycholesterol
(20R,22R)-20,22-Dihydroxycholesterol
(22R)-20alpha,22-Dihydroxycholesterol
20,22-Dihydroxycholesterol
20R,22R-Dihydroxycholesterol
20alpha,22beta-Dihydroxycholesterol
O3
ST 27:1
cholest-5-en-3beta,20R,22R-triol

metacyc.compound:20A-20B-DIHYDROXY-CHOLESTEROL
metacycM:20A-20B-DIHYDROXY-CHOLESTEROL
ISBSSBGEYIBVTO-TYKWNDPBSA-N 		(20R,22R)-dihydroxycholesterol
20-a-22-b-dihydroxycholesterol

seed.compound:cpd03275
seedM:cpd03275
ISBSSBGEYIBVTO-TYKWNDPBSA-N 		20alpha,22beta-Dihydroxycholesterol
(20R,22R)-dihydroxycholesterol
(22R)-20alpha,22-Dihydroxycholesterol
20-a-22-b-dihydroxycholesterol
20alpha-22beta-dihydroxy-cholesterol

kegg.compound:C05501
keggC:C05501
ISBSSBGEYIBVTO-TYKWNDPBSA-N 		20alpha,22beta-Dihydroxycholesterol
(22R)-20alpha,22-Dihydroxycholesterol

bigg.metabolite:M00579
biggM:M00579
ISBSSBGEYIBVTO-SSFXUMSLSA-N 		Cholest-5-En-3Beta,20R,22R-Triol

vmhM:M00579
vmhM:M00579
vmhmetabolite:M00579
vmhmetabolite:M00579
ISBSSBGEYIBVTO-SSFXUMSLSA-N 		Cholest-5-En-3Beta,20R,22R-Triol
(2R,3R)-2-[(1S,2R,10S,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl]-6-methylheptane-2,3-diol

biggM:M_M00579
keggC:M_C05501
seedM:M_cpd03275
vmhM:M_M00579 		secondary/obsolete/fantasy identifier