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CHEBI:15367 - all-trans-retinoic acid

ChEBI IDCHEBI:15367
ChEBI Nameall-trans-retinoic acid
Stars
ASCII Nameall-trans-retinoic acid
DefinitionA retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry.
Secondary ChEBI IDsCHEBI:8815, CHEBI:45376
Last Modified13 October 2023
SubmitterMarcus Ennis
DownloadsMolfile

FormulaC20H28O2
Net Charge0
Average Mass300.442
Monoisotopic Mass300.20893
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1
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+
InChIKeySHGAZHPCJJPHSC-YCNIQYBTSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) Article (Geigy Scientific Tables, 8th Rev edition, pp. 165-177. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.)
Roles Classification

ChEBI Ontology
IUPAC Name 
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
INNs  Source
tretinoína  esWHO MedNet
tretinoinWHO MedNet
trétinoïne  frWHO MedNet
tretinoinum  laWHO MedNet
Synonyms  Source
retinoic acidKEGG COMPOUND
vitamin A acidKEGG COMPOUND
Acide retinoique (French)KEGG COMPOUND
3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acidKEGG COMPOUND
(all-E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acidKEGG COMPOUND
AGN 100335KEGG COMPOUND
Brand Names  Source
AltrenoDrugBank
BiacnaDrugBank
VesanoidDrugBank
Retin-ADrugBank
RenovaDrugBank
VeltinDrugBank
Manual XrefsDatabases
C00777KEGG COMPOUND
REAPDBeChem
DB00755DrugBank
LMPR01090019LIPID MAPS
TretinoinWikipedia
D00094KEGG DRUG
HMDB0001852HMDB
Retinoic_acidWikipedia
2722DrugCentral
FDB022710FooDB
Registry NumbersSources
Reaxys:2057223Reaxys
CAS:302-79-4KEGG COMPOUND
CAS:302-79-4ChemIDplus
Citations