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all-trans-retinoyl-1-O-(beta-D-glucuronate)

MNXM1137675 is deprecated and here replaced by MNXM1363989
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1363989 Image of MNXM1363989
referencechebi:139181
formulaC26H35O8
global charge-1
mol weight475.558
InChIKeyMTGFYEHKPMOVNE-NEFMKCFNSA-M
InChIInChI=1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/p-1/b9-6+,12-11+,15-8+,16-14+/t20-,21-,22+,23-,25+/m0/s1
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1
MNX internals
InChI (mnx)InChI=1/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/b9-6+,12-11+,15-8+,16-14+/t20-,21-,22+,23-,25+/m0/s1 Image of MNXM1363989
SMILES (mnx)[CH3:1][C:15](=[CH:8]\[CH:6]=[CH:9]\[C:16]([CH3:2])=[CH:14]\[C:19](=[O:27])[O:33][C@H:25]1[C@H:22]([OH:30])[C@@H:20]([OH:28])[C@H:21]([OH:29])[C@@H:23]([C:24](=[O:31])[OH:32])[O:34]1)/[CH:11]=[CH:12]/[C:18]1=[C:17]([CH3:3])[CH2:10][CH2:7][CH2:13][C:26]1([CH3:4])[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:139181
chebi:139181
MTGFYEHKPMOVNE-NEFMKCFNSA-M 		all-trans-retinoyl-1-O-(beta-D-glucuronate)
1-O-(all-trans-retinoyl)-beta-D-glucuronate
1-O-(all-trans-retinoyl)-beta-D-glucuronide(1-)
1-O-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl]-beta-D-glucopyranuronate
O(15)-[(2S,3R,4S,5S,6S)-6-carboxylato-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]retinoic acid
all-trans-retinoyl-beta-glucuronide(1-)

lipidmaps:LMPR01090051
lipidmapsM:LMPR01090051
MTGFYEHKPMOVNE-NEFMKCFNSA-N 		1-O-all-trans-retinoyl-beta-glucuronic acid
1-O-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl]-beta-D-glucopyranuronic acid O(15)-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]retinoic acid
Retinoyl glucuronide
all-trans-Retinoyl-beta-glucuronide

CHEBI:28870
chebi:28870
MTGFYEHKPMOVNE-NEFMKCFNSA-N 		1-O-all-trans-retinoyl-beta-glucuronic acid
1-O-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl]-beta-D-glucopyranuronic acid
O(15)-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]retinoic acid
Retinoyl glucuronide
all-trans-Retinoyl-beta-glucuronide

bigg.metabolite:13_cis_retnglc
biggM:13_cis_retnglc
MTGFYEHKPMOVNE-JVJOLNLISA-M 		13-cis-retinoyl glucuronide

vmhM:13_cis_retnglc
vmhmetabolite:13_cis_retnglc
MTGFYEHKPMOVNE-NEFMKCFNSA-M 		13-cis-retinoyl glucuronide
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

vmhM:CE2959
vmhmetabolite:CE2959
MTGFYEHKPMOVNE-NEFMKCFNSA-N 		13-cis-retinoyl-beta-D-glucuronide
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

vmhM:CE5756
vmhmetabolite:CE5756
MTGFYEHKPMOVNE-NEFMKCFNSA-M 		9-cis-retinoyl-beta-D-glucuronide
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
hmdb:HMDB0003141
MTGFYEHKPMOVNE-NEFMKCFNSA-N 		Retinoyl b-glucuronide
(2S,3S,4S,5R,6S)-6-{[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
13-cis-Retinoate
13-cis-Retinoic acid
13-cis-Retinoic acid acyl beta-D-glucuronide
13-cis-Retinoic acid acyl beta-delta-glucuronide
13-cis-Retinoyl glucuronide
13-cis-Retinoyl-beta-D-glucuronide
13-cis-Retinoyl-beta-delta-glucuronide
13-cis-Retinoyl-beta-glucuronide
9-cis-Retinoyl-beta-D-glucuronide
9-cis-Retinoyl-beta-delta-glucuronide
Glucuronide
Retinoate
Retinoic acid
Retinoic acid beta-D-glucuronide
Retinoic acid beta-delta-glucuronide
Retinoyl beta-glucuronide
Retinoyl glucuronide
Retinoyl-beta-glucuronide
all-trans-Retinoyl-b-glucuronide
all-trans-Retinoyl-beta-D-glucuronide
all-trans-Retinoyl-beta-delta-glucuronide
all-trans-Retinoyl-beta-glucuronide
glucuronide
trans-Retinoyl glucuronide

bigg.metabolite:retnglc
biggM:retnglc
MTGFYEHKPMOVNE-JVJOLNLISA-M 		Retinoyl glucuronide

seed.compound:cpd07945
seedM:cpd07945
MTGFYEHKPMOVNE-NEFMKCFNSA-M 		Retinoyl glucuronide
all-trans-Retinoyl-beta-glucuronide

sabiork.compound:13139
sabiorkM:13139
kegg.compound:C11061
keggC:C11061
MTGFYEHKPMOVNE-NEFMKCFNSA-N 		all-trans-Retinoyl-beta-glucuronide
Retinoyl glucuronide

vmhM:retnglc
vmhmetabolite:retnglc
MTGFYEHKPMOVNE-NEFMKCFNSA-M 		retinoyl glucuronide
(2S,3S,4S,5R,6S)-6-{[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

hmdb:HMDB03141
chebi:10196
chebi:22350
biggM:M_13_cis_retnglc
biggM:M_retnglc
keggC:M_C11061
seedM:M_cpd07945
vmhM:M_13_cis_retnglc
vmhM:M_CE2959
vmhM:M_CE5756
vmhM:M_retnglc 		secondary/obsolete/fantasy identifier