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CHEBI:169952 - 13-cis-retinoate

ChEBI IDCHEBI:169952
ChEBI Name13-cis-retinoate
Stars
ASCII Name13-cis-retinoate
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC20H27O2
Net Charge-1
Average Mass299.434
Monoisotopic Mass299.20165
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)/p-1/b9-6+,12-11+,15-8+,16-14-
InChIKeySHGAZHPCJJPHSC-XFYACQKRSA-M
ChEBI Ontology
Outgoing Relation(s)
13-cis-retinoate (CHEBI:169952) is a retinoate (CHEBI:15036)
13-cis-retinoate (CHEBI:169952) is conjugate base of isotretinoin (CHEBI:6067)
Incoming Relation(s)
isotretinoin (CHEBI:6067) is conjugate acid of 13-cis-retinoate (CHEBI:169952)
Synonym  Source
(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoateSUBMITTER
UniProt Name  Source
13-cis-retinoateUniProt
Citations