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

Properties

Image

Occurences in reactions

MNX_ID

MNXM1200

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	6

formula

C₂₇H₄₆O₃

charge

mass

418.3447

reference

chebi:1294

InChIKey

ISBSSBGEYIBVTO-TYKWNDPBSA-N

InChI

InChI=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

SMILES

CC(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@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-193086 reactomeM:R-ALL-193086 CHEBI:1294 chebi:1294	(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	(20R,22R)-20,22-dihydroxycholesterol
lipidmaps:LMST01010200 lipidmapsM:LMST01010200	(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	(20R,22R)-dihydroxycholesterol 20-a-22-b-dihydroxycholesterol
seed.compound:cpd03275 seedM:cpd03275	20alpha,22beta-Dihydroxycholesterol (20R,22R)-dihydroxycholesterol (22R)-20alpha,22-Dihydroxycholesterol 20-a-22-b-dihydroxycholesterol 20alpha-22beta-dihydroxy-cholesterol
kegg.compound:C05501 keggC:C05501	20alpha,22beta-Dihydroxycholesterol (22R)-20alpha,22-Dihydroxycholesterol
bigg.metabolite:M00579 biggM:M00579	Cholest-5-En-3Beta,20R,22R-Triol
biggM:M_M00579 keggC:M_C05501 seedM:M_cpd03275	secondary/obsolete/fantasy identifier