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all-trans-retinoate

MNXM726248 is deprecated and here replaced by MNXM1107683
!!! Alternative mappings exist !!!

Properties

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Occurences in reactions

MNX_ID

MNXM1107683

	#reac
in my sandbox	0
in MNXref (generic)	44
in models (compartimentalized)	44

formula

C₂₀H₂₇O₂

charge

-1

mass

299.20165

reference

chebi:35291

InChIKey

SHGAZHPCJJPHSC-YCNIQYBTSA-M

InChI

InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/p-1/b9-6+,12-11+,15-8+,16-14+

SMILES

CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)[O-])C(C)(C)CCC1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:35291 chebi:35291	all-trans-retinoate (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate Retinoate all-trans-Retinoate
bigg.metabolite:CE5594 biggM:CE5594	9,13-cis-retinoate
bigg.metabolite:retn biggM:retn	Retinoate
sabiork.compound:5231 sabiorkM:5231	Retinoate (all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8- nonatetraenoic acid (all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8- nonatetraenoic acid (ECL) 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid (ECL) AGN 100335 Acide retinoique (French) (DSL) Retinoic acid Ro 1-5488 Tretin M Tretinoine (French) (EINECS) Vitamin A acid all-(E)-Retinoic acid all-trans-Retinoate all-trans-Retinoic acid all-trans-Tretinoin all-trans-Vitamin A acid all-trans-Vitamin A1 acid all-trans-beta-Retinoic acid beta-Retinoic acid trans-Retinoic acid
kegg.compound:C00777 keggC:C00777	Retinoate (all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid (ECL) AGN 100335 Acide retinoique (French) (DSL) Retinoic acid Ro 1-5488 Tretin M Tretinoine (French) (EINECS) Vitamin A acid all-(E)-Retinoic acid all-trans-Retinoate all-trans-Retinoic acid all-trans-Tretinoin all-trans-Vitamin A acid all-trans-Vitamin A1 acid all-trans-beta-Retinoic acid beta-Retinoic acid trans-Retinoic acid
lipidmaps:LMPR01090019 lipidmapsM:LMPR01090019	Retinoic Acid 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2E,4E,6E,8E-tetraenoic acid Tretinoin/All-Trans Retinoic Acid
seed.compound:cpd00577 seedM:cpd00577	Tretin M (all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8- nonatetraenoic acid (all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid (all-E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8- nonatetraenoic acid (ECL) 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid (ECL) 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid AGN 100335 Acide retinoique (French) (DSL) Retinoate Retinoic acid Ro 1-5488 Tretinoine (French) (EINECS) Vitamin A acid all-(E)-Retinoic acid all-(E)-retinoic acid all-trans vitamin A acid all-trans vitamin A1 acid all-trans-Retinoate all-trans-Retinoic acid all-trans-Tretinoin all-trans-Vitamin A acid all-trans-Vitamin A1 acid all-trans-beta-Retinoic acid all-trans-beta-retinoic acid all-trans-retinoate all-trans-retinoic acid all-trans-tretinoin b-retinoic acid beta-Retinoic acid retin A retinoate retinoic acid trans-Retinoic acid tretin M tretinoin tretinoine vitamin A acid
kegg.drug:D00094 keggD:D00094	Tretinoin (JAN/USP/INN) Avita (TN) Renova (TN) Retin A (TN) Tretinoin (TN)
metacyc.compound:Retinoates metacycM:Retinoates	a retinoate Vitamin A a retinoic acid
hmdb:HMDB0001852	all-trans-Retinoic acid (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid (all-e)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate (all-e)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoate (ecl) 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid (ecl) AGN 100335 Acid, all-trans-retinoic Acid, beta-all-trans-retinoic Acid, retinoic Acid, trans-retinoic Acid, vitamin a Atralin Avita Eudyna Potassium salt, tretinoin Renova Retin a Retin-a Retin-a micro Retinoate Retinoic acid Retisol-a Ro 1-5488 Salt, tretinoin potassium Salt, tretinoin sodium Salt, tretinoin zinc Sodium salt, tretinoin Solage Stieva-a Tretin m Tretin-X Tretinoin Tretinoin potassium salt Tretinoin sodium salt Tretinoin zinc salt Vesanoid Vitamin a acid Vitinoin Zinc salt, tretinoin all trans Retinoic acid all-(e)-Retinoate all-(e)-Retinoic acid all-trans-Retinoate all-trans-Tretinoin all-trans-Vitamin a acid all-trans-Vitamin a1 acid all-trans-b-Retinoate all-trans-b-Retinoic acid all-trans-beta-Retinoate all-trans-beta-Retinoic acid all-trans-beta-retinoate all-trans-beta-retinoic acid b-Retinoate b-Retinoic acid beta all trans Retinoic acid beta-Retinoate beta-Retinoic acid beta-all-trans-Retinoic acid beta-retinoate beta-retinoic acid trans Retinoic acid trans-Retinoate trans-Retinoic acid tretinoin
metacyc.compound:RETINOATE metacycM:RETINOATE	all-trans-retinoate (all-E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid AGN 100335 Ro 1-5488 all-(E)-retinoic acid all-trans vitamin A acid all-trans vitamin A1 acid all-trans-beta-retinoic acid all-trans-retinoic acid all-trans-tretinoin b-retinoic acid retin A retinoate retinoic acid tretin M tretinoin tretinoine vitamin A acid
reactome:R-ALL-215573 reactomeM:R-ALL-215573 reactome:R-ALL-5246462 reactomeM:R-ALL-5246462 reactome:R-ALL-5334804 reactomeM:R-ALL-5334804 reactome:R-ALL-5334816 reactomeM:R-ALL-5334816 CHEBI:15367 chebi:15367	all-trans-retinoic acid (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid (all-E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-all-trans-tetraenoic acid 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2E,4E,6E,8E-tetraenoic acid AGN 100335 Acide retinoique (French) Altreno Atralin Avita Betarretin Biacna Cordes vas Dermairol Refissa Renova Retin-A Retisol-A Ro 1-5488 Stieva-A Tretin M Tri-luma Veltin Vesanoid all-(E)-retinoic acid all-trans retinoic acid all-trans-beta-Retinoic acid all-trans-tretinoin all-trans-vitamin A acid all-trans-vitamin A1 acid beta-Retinoic acid retinoic acid trans-retinoic acid tretinoin tretinoina tretinoine tretinoinum vitamin A acid
CHEBI:15036 chebi:15036	retinoate 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
CHEBI:26536 chebi:26536	retinoic acid 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
hmdb:HMDB01852 chebi:26535 chebi:45376 chebi:8815 biggM:M_CE5594 biggM:M_retn keggC:M_C00777 keggD:M_D00094 seedM:M_cpd00577	secondary/obsolete/fantasy identifier