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7a-Hydroxycholesterol

MNXM163606 is deprecated and replaced by MNXM39189

Properties

Image

Occurences in reactions

MNX_ID

MNXM39189

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	4

formula

C₂₇H₄₆O₂

charge

mass

402.34978

reference

chebi:89281

InChIKey

OYXZMSRRJOYLLO-AWBHSAGMSA-N

InChI

InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22-,23+,24-,25?,26+,27-/m1/s1

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2C3[C@H](O)C=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
CHEBI:89281 chebi:89281	7a-Hydroxycholesterol (1S,2R,5S,9S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,9-diol 7 alpha-Hydroxycholesterol 7-a-Hydroxycholesterol 7-alpha-Hydroxycholesterol 7alpha-Hydroxycholesterol Cholest-5-ene-3beta,7alpha-diol
bigg.metabolite:xol7a biggM:xol7a	7 alpha-Hydroxycholesterol
hmdb:HMDB0001496	7alpha-Hydroxycholesterol (1S,2R,5S,9S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,9-diol (3beta,7alpha)-Cholest-5-ene-3,7-diol 7 alpha-Hydroxycholesterol 7a-Hydroxy-cholesterol 7a-Hydroxycholesterol 7alpha-Hydroxy-cholesterol 7alpha-Hydroxycholest-5-en-3beta-ol 7alpha-hydroxy-cholesterol 7alpha-hydroxycholesterol 7alphaOHChol Cholest-5-en-3 beta,7 alpha-diol Cholest-5-ene-3b,7a-diol Cholest-5-ene-3beta,7alpha-diol
hmdb:HMDB01496 biggM:M_xol7a	secondary/obsolete/fantasy identifier