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CHEBI:193387 - HDOPA

ChEBI IDCHEBI:193387
ChEBI NameHDOPA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O5
Net Charge0
Average Mass360.450
Monoisotopic Mass360.19367
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@]1(C)[C@@H](C(=O)C(=O)O)CC[C@@]21[H]
InChIInChI=1S/C21H28O5/c1-20-8-7-12(22)9-11(20)3-4-13-14-5-6-15(18(24)19(25)26)21(14,2)10-16(23)17(13)20/h9,13-17,23H,3-8,10H2,1-2H3,(H,25,26)/t13-,14-,15+,16-,17+,20-,21-/m0/s1
InChIKeyJBTKFLIEKACQQE-VHKLNFGVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
Roles Classification
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
HDOPA (CHEBI:193387) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetic acid
Manual XrefsDatabases
LMST02030225LIPID MAPS
48063653ChemSpider