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Rac-4-hydroxy-4-O-(beta-D-glucuronide)-all-trans-retinyl acetate

MNXM160765 is deprecated and here replaced by MNXM1102074
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1102074

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

formula

C₂₈H₃₉O₉

charge

-1

mass

519.25996

reference

biggM:CE2962

InChIKey

LFXATGINAILLFU-BSJULFBXSA-M

InChI

InChI=1S/C28H40O9/c1-16(8-7-9-17(2)13-15-35-19(4)29)10-11-20-18(3)21(12-14-28(20,5)6)36-27-24(32)22(30)23(31)25(37-27)26(33)34/h7-11,13,21-25,27,30-32H,12,14-15H2,1-6H3,(H,33,34)/p-1/b9-7+,11-10+,16-8+,17-13+/t21-,22-,23+,24-,25-,27-/m1/s1

SMILES

CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)[C@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]2O)CCC1(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:CE2962 biggM:CE2962	Rac-4-hydroxy-4-O-(beta-D-glucuronide)-all-trans-retinyl acetate
hmdb:HMDB0060141	rac-4-Hydroxy-4-O-(beta-D-glucuronide)-all-trans-retinyl acetate (2R,3S,4R,5R,6R)-6-{[(1R)-3-[(1E,3E,5E,7E)-9-(acetyloxy)-3,7-dimethylnona-1,3,5,7-tetraen-1-yl]-2,4,4-trimethylcyclohex-2-en-1-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid rac-4-Hydroxy-4-O-(b-D-glucuronide)-all-trans-retinyl acetate rac-4-Hydroxy-4-O-(b-D-glucuronide)-all-trans-retinyl acetic acid rac-4-Hydroxy-4-O-(beta-D-glucuronide)-all-trans-retinyl acetic acid
hmdb:HMDB60141 biggM:M_CE2962	secondary/obsolete/fantasy identifier