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CHEBI:46856 - 11-cis-retinoic acid

ChEBI IDCHEBI:46856
ChEBI Name11-cis-retinoic acid
Stars
ASCII Name11-cis-retinoic acid
DefinitionThe 11-cis-isomer of retinoic acid.
Last Modified26 June 2014
SubmitterKirill Degtyarenko
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-JPXMXQIXSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
11-cis-retinoic acid (CHEBI:46856) is a retinoic acid (CHEBI:26536)
11-cis-retinoic acid (CHEBI:46856) is conjugate acid of 11-cis-retinoate (CHEBI:87435)
Incoming Relation(s)
11-cis-retinoate (CHEBI:87435) is conjugate base of 11-cis-retinoic acid (CHEBI:46856)
IUPAC Name 
(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
Synonyms  Source
(7E,9E,11Z,13E)-retinoic acidJCBN
(11Z)-retinoic acidChEBI
Manual XrefsDatabases
LMPR01090024LIPID MAPS
Registry NumbersSources
Reaxys:2622578Reaxys