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(23S)-23,25,26-trihydroxycalciol

Properties

Image

Occurences in reactions

MNX_ID

MNXM1105787

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

formula

C₂₇H₄₄O₄

charge

mass

432.32396

reference

chebi:47803

InChIKey

GDIBDBUYVICGLY-VVFBGWIOSA-N

InChI

InChI=1S/C27H44O4/c1-18-7-10-22(29)15-21(18)9-8-20-6-5-13-27(4)24(11-12-25(20)27)19(2)14-23(30)16-26(3,31)17-28/h8-9,19,22-25,28-31H,1,5-7,10-17H2,2-4H3/b20-8+,21-9-/t19-,22+,23+,24-,25+,26?,27-/m1/s1

SMILES

C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)C[C@H](O)CC(C)(O)CO

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:47803 chebi:47803	(23S)-23,25,26-trihydroxycalciol (23S)-23,25,26-trihydroxycholecalciferol (3S,5Z,7E,23S)-9,10-secocholesta-5,7,10-triene-3,23,25,26-tetrol 23S,25,26(OH)3D3 23S,25,26-trihydroxycholecalciferol 23S,25,26-trihydroxyvitamin D3
bigg.metabolite:CE2202 biggM:CE2202	23S,25,26-trihydroxyvitamin D3
biggM:M_CE2202	secondary/obsolete/fantasy identifier