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all-trans-4-hydroxyretinoate

MNXM726409 is deprecated and here replaced by MNXM1107685
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1107685 Image of MNXM1107685
referencechebi:134178
formulaC20H27O3
global charge-1
mol weight315.433
InChIKeyKGUMXGDKXYTTEY-FRCNGJHJSA-M
InChIInChI=1S/C20H28O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13,18,21H,11-12H2,1-5H3,(H,22,23)/p-1/b8-6+,10-9+,14-7+,15-13+
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)[O-])C(C)(C)CCC1O
MNX internals
InChI (mnx)InChI=1/C20H28O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13,18,21H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+/t18? Image of MNXM1107685
SMILES (mnx)[CH3:1][C:14](=[CH:7]\[CH:6]=[CH:8]\[C:15]([CH3:2])=[CH:13]\[C:19](=[O:22])[OH:23])/[CH:9]=[CH:10]/[C:17]1=[C:16]([CH3:3])[CH:18]([OH:21])[CH2:11][CH2:12][C:20]1([CH3:4])[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 8
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:134178
chebi:134178
KGUMXGDKXYTTEY-FRCNGJHJSA-M 		all-trans-4-hydroxyretinoate
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-hydroxy-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate
(2E,4E,6E,8E)-9-(3-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate
(7E,9E,11E,13E)-4-hydroxyretinoic acid
4-hydroxy-(7E,9E,11E,13E)-retinoate
4-hydroxy-15-oxidoretinal
4-hydroxy-all-trans-retinoate

bigg.metabolite:hretn
biggM:hretn
KGUMXGDKXYTTEY-FRCNGJHJSA-M 		4 hydroxy retinoic acid

vmhM:hretn
vmhmetabolite:hretn
KGUMXGDKXYTTEY-FRCNGJHJSA-M 		4 hydroxy retinoic acid
(2E,4E,6E,8E)-9-(3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
hmdb:HMDB0006254
KGUMXGDKXYTTEY-FRCNGJHJSA-N 		4-Hydroxyretinoic acid
(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-3-hydroxy-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate
(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-3-hydroxy-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid
(2E,4E,6E,8E)-9-(3-Hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate
(2E,4E,6E,8E)-9-(3-Hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
(2E,4E,6E,8E)-9-(3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
(7E,9E,11E,13E)-4-Hydroxyretinoate
(7E,9E,11E,13E)-4-Hydroxyretinoic acid
4-Hydroxy-(7E,9E,11E,13E)-retinoate
4-Hydroxy-(7E,9E,11E,13E)-retinoic acid
4-Hydroxy-13-cis-retinoate
4-Hydroxy-13-cis-retinoic acid
4-Hydroxy-13-retinoic acid
4-Hydroxy-all-trans-retinoate
4-Hydroxy-all-trans-retinoic acid
4-Hydroxy-retinoate
4-Hydroxy-retinoic acid
4-Hydroxyretinoate
4-Hydroxyretinoic acid, (13-cis)-isomer
4-OH-Retinoate
4-OH-Retinoic acid
4-hydroxyretinoic acid
all-trans-4-Hydroxyretinoate
all-trans-4-Hydroxyretinoic acid
rac-4-Hydroxy-all-trans-retinoate
rac-4-Hydroxy-all-trans-retinoic acid

vmhM:CE2956
vmhmetabolite:CE2956
KGUMXGDKXYTTEY-FRCNGJHJSA-M 		4-Hydroxyretinoic acid
(2E,4E,6E,8E)-9-(3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid

sabiork.compound:21139
sabiorkM:21139
KGUMXGDKXYTTEY-FRCNGJHJSA-N 		4-Hydroxyretinoic acid
4-Hydroxy-all-trans-retinoic acid
4-OH-RA

seed.compound:cpd16475
seedM:cpd16475
kegg.compound:C16677
keggC:C16677
KGUMXGDKXYTTEY-FRCNGJHJSA-M
KGUMXGDKXYTTEY-FRCNGJHJSA-N 		all-trans-4-Hydroxyretinoic acid

SLM:000597726
slm:000597726
KGUMXGDKXYTTEY-FRCNGJHJSA-M 		all-trans-4-dihydroxyretinoate

lipidmaps:LMPR01090025
lipidmapsM:LMPR01090025
KGUMXGDKXYTTEY-FRCNGJHJSA-N 		all-trans-4-hydroxyretinoic acid

reactome:R-ALL-215584
reactomeM:R-ALL-215584
reactome:R-ALL-5362521
reactomeM:R-ALL-5362521
CHEBI:63795
chebi:63795
KGUMXGDKXYTTEY-FRCNGJHJSA-N 		all-trans-4-hydroxyretinoic acid
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-hydroxy-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid
(2E,4E,6E,8E)-9-(3-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
(7E,9E,11E,13E)-4-hydroxyretinoic acid
4-hydroxy-(7E,9E,11E,13E)-retinoic acid
4-hydroxy-all-trans-retinoic acid
4-hydroxyretinoic acid

hmdb:HMDB06254
biggM:M_hretn
keggC:M_C16677
seedM:M_cpd16475
vmhM:M_CE2956
vmhM:M_hretn 		secondary/obsolete/fantasy identifier