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isotretinoin

PropertiesImageOccurences in reactions
MNX_IDMNXM58377Image of MNXM58377
#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 26
formulaC20H28O2
charge0
mass300.20893
referencechebi:6067
InChIKeySHGAZHPCJJPHSC-XFYACQKRSA-N
InChIInChI=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)/b9-6+,12-11+,15-8+,16-14-
SMILESCC1=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
IdentifierDescription
CHEBI:6067
chebi:6067 		isotretinoin
(2Z,4E6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
(7E,9E,11E,13Z)-retinoic acid
13-RA
13-cis-Vitamin A acid
13-cis-retinoic acid
Accutane
Amnesteem
Claravis
Neovitamin A acid
cis-RA
isotretinoina
isotretinoine
isotretinoino
isotretinoinum
kegg.compound:C07058
keggC:C07058 		13-cis-Retinoic acid
hmdb:HMDB0006219 13-cis-Retinoic acid
(13-cis)-Retinoate
(13-cis)-Retinoic acid
(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
(7E,9E,11E,13Z)-Retinoate
(7E,9E,11E,13Z)-Retinoic acid
13 cis Retinoic acid
13-RA
13-cis-Retinoate
13-cis-Retinoate,isotretinoin
13-cis-Vitamin a acid
Absorica
Accutane
Amnesteem
CIP-isotretinoin
Claravis
Isotretinoin
Isotretinoin zinc salt, 13 cis isomer
Isotretinoin zinc salt, 13-cis-isomer
Isotretinoina
Isotretinoine
Isotretinoino
Isotretinoinum
Isotrex
Neovitamin a acid
Retinoate
Retinoic acid
Roaccutan
Roaccutane
Roacutan
Sotret
Teriosal
cis-RA
cis-Retinoate
cis-Retinoic acid
isotretinoin
bigg.metabolite:13_cis_retn
biggM:13_cis_retn
metacyc.compound:CPD-13548
metacycM:CPD-13548 		13-cis-retinoate
CHEBI:169952
chebi:169952 		13-cis-retinoate
(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate
seed.compound:cpd23931
seedM:cpd23931 		13-cis-retinoate
13-cis-Retinoic acid
lipidmaps:LMPR01090021
lipidmapsM:LMPR01090021 		13-cis-retinoic acid,Isotretinoin
kegg.drug:D00348
keggD:D00348 		Isotretinoin (USP)
Absorica (TN)
Accutane (TN)
Sotret (TN)
hmdb:HMDB06219
biggM:M_13_cis_retn
keggC:M_C07058
keggD:M_D00348
seedM:M_cpd23931 		secondary/obsolete/fantasy identifier