all-trans-retinoate

<i>all-trans</i>-retinoate




Chemical Formula:
C20H27O2
Molecular Weight:
299.432 Daltons
Monoisotopic Mass:
300.208930143 Daltons
SMILES:
CC(=CC=CC(C)=CC(=O)[O-])C=CC1(=C(C)CCCC(C)(C)1)
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+
InChIKey:
SHGAZHPCJJPHSC-YCNIQYBTSA-M

Synonyms
  • retinoic acid
  • vitamin A acid
  • retinoate
  • tretinoin
  • tretinoine
  • 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-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
  • b-retinoic acid
  • 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid
  • AGN 100335
  • all-(E)-retinoic acid
  • all-trans-β-retinoic acid
  • all-trans-retinoic acid
  • all-trans-tretinoin
  • retin A
  • Ro 1-5488
  • tretin M
  • all-trans vitamin A acid
  • all-trans vitamin A1 acid
  • all-trans-Vitamin A acid

Databases
MetaCyc:  RETINOATE
RefMet:  Retinoi Retinoic Acid
MetaboLights:  MTBLC35291
HMDB:  HMDB12874
ChemSpider:  4925341
PubChem (CID):  6419707
ChEBI:  35291 15367
KEGG:  C00777
CAS:  302-79-4
Seed:  cpd00577
MetaNetX:  MNXM521
PupChem (SID):  4038
CHEMBL:  CHEMBL38
LIPIDBANK:  VVA0018
PDB-CCD:  REA
3DMET:  B00172
NIKKAJI:  J1.518K