MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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(22S)-22-hydroxycholesterol

MNXM1250 is deprecated and here replaced by MNXM1366469
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1366469
reference	chebi:1301
formula	C₂₇H₄₆O₂
global charge	0
mol weight	402.663
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@]12C

MNX internals

InChI (mnx)	InChI=1/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 (mnx)	[CH3:1][CH:17]([CH3:2])[CH2:6][CH2:11][C@@H:25]([C@@H:18]([CH3:3])[C@H:22]1[CH2:9][CH2:10][C@H:23]2[C@@H:21]3[CH2:8][CH:7]=[C:19]4[CH2:16][C@@H:20]([OH:28])[CH2:12][CH2:14][C@:26]4([CH3:4])[C@H:24]3[CH2:13][CH2:15][C@:27]12[CH3:5])[OH:29]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-193019 reactomeM:R-ALL-193019 reactome:R-ALL-4720434 reactomeM:R-ALL-4720434 CHEBI:1301 chebi:1301 RZPAXNJLEKLXNO-QUOSNDFLSA-N	(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 RZPAXNJLEKLXNO-QUOSNDFLSA-N	(22S)-22-hydroxycholesterol (22S)-OH-cholesterol (22S)beta-hydroxy-cholesterol
lipidmaps:LMST01010145 lipidmapsM:LMST01010145 RZPAXNJLEKLXNO-QUOSNDFLSA-N	22S-hydroxycholesterol(d7) cholest-5-en-3beta,22S-diol(d7)
lipidmaps:LMST01010345 lipidmapsM:LMST01010345 RZPAXNJLEKLXNO-QUOSNDFLSA-N	22S-hydroxycholesterol O2 ST 27:1 cholest-5-en-3beta,22S-diol