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(22S)-22-hydroxycholesterol

Properties

Image

Occurences in reactions

MNX_ID

MNXM1250

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

formula

C₂₇H₄₆O₂

charge

mass

402.34978

reference

chebi:1301

InChIKey

RZPAXNJLEKLXNO-QUOSNDFLSA-N

InChI

InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1

SMILES

CC(C)CC[C@H](O)[C@@H](C)[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-193019 reactomeM:R-ALL-193019 CHEBI:1301 chebi:1301	(22S)-22-hydroxycholesterol (22S)-cholest-5-ene-3beta,22-diol (3beta,22S)-Cholest-5-ene-3,22-diol
metacyc.compound:CPD-7189 metacycM:CPD-7189	(22S)beta-hydroxy-cholesterol (22S)-OH-cholesterol
CHEBI:166802 chebi:166802	22-Hydroxycholesterol (3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
lipidmaps:LMST01010054 lipidmapsM:LMST01010054	22-hydroxycholesterol O2 ST 27:1 cholest-5-en-3beta,22-diol
lipidmaps:LMST01010145 lipidmapsM:LMST01010145	22S-hydroxycholesterol(d7) cholest-5-en-3beta,22S-diol(d7)
lipidmaps:LMST01010345 lipidmapsM:LMST01010345	22S-hydroxycholesterol O2 ST 27:1 cholest-5-en-3beta,22S-diol