CHEBI:89213 - 18-oxocortisol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 18-oxocortisol
ChEBI ID CHEBI:89213
Definition A steroid aldehyde that is cortisol carrying a formyl group at position 18.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C21H28O6
Net Charge 0
Average Mass 376.449
Monoisotopic Mass 376.18859
InChI InChI=1S/C21H28O6/c1-19-6-4-13(24)8-12(19)2-3-14-15-5-7-21(27,17(26)10-22)20(15,11-23)9-16(25)18(14)19/h8,11,14-16,18,22,25,27H,2-7,9-10H2,1H3/t14-,15-,16-,18+,19-,20+,21-/m0/s1
InChIKey XUQWWIFROYJHCU-UKSDXMLSSA-N
SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@]1(C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)C=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
Homo sapiens (NCBI:txid9606) Found in Urine (NCIT:C13283). See: PubMed
Roles Classification
Biological Role(s): human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
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.
(via steroid hormone )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 18-oxocortisol (CHEBI:89213) has functional parent cortisol (CHEBI:17650)
18-oxocortisol (CHEBI:89213) has parent hydride pregnane (CHEBI:8386)
18-oxocortisol (CHEBI:89213) has role human urinary metabolite (CHEBI:84087)
18-oxocortisol (CHEBI:89213) is a 11β-hydroxy steroid (CHEBI:35346)
18-oxocortisol (CHEBI:89213) is a 17α-hydroxy-C21-steroid (CHEBI:138141)
18-oxocortisol (CHEBI:89213) is a 20-oxo steroid (CHEBI:36885)
18-oxocortisol (CHEBI:89213) is a 21-hydroxy steroid (CHEBI:35344)
18-oxocortisol (CHEBI:89213) is a 3-oxo-Δ4 steroid (CHEBI:47909)
18-oxocortisol (CHEBI:89213) is a glucocorticoid (CHEBI:24261)
18-oxocortisol (CHEBI:89213) is a mineralocorticoid (CHEBI:25354)
18-oxocortisol (CHEBI:89213) is a primary α-hydroxy ketone (CHEBI:139590)
18-oxocortisol (CHEBI:89213) is a steroid aldehyde (CHEBI:131565)
18-oxocortisol (CHEBI:89213) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name
11β,17,21-trihydroxy-3,20-dioxopregn-4-en-18-al
Synonyms Sources
(11β)-11,17,21-trihydroxy-3,20-dioxopregn-4-en-18-al ChEBI
(11β,17α)-11,17,18,21-tetrahydroxypregn-4-ene-3,20-dione-18-al ChEBI
18-oxo-cortisol LIPID MAPS
18-oxocortisol UniProt
4-pregnene-11β,17α,21-triol-3,20-dione-18-al LIPID MAPS
Manual Xrefs Databases
FDB021957 FooDB
HMDB0000332 HMDB
LMST02030296 LIPID MAPS
View more database links
Registry Number Type Source
2410-60-8 CAS Registry Number ChEMBL
Citations Waiting for Citations Types Sources
10778083 PubMed citation Europe PMC
12429142 PubMed citation Europe PMC
15356073 PubMed citation Europe PMC
16149517 PubMed citation Europe PMC
20963880 PubMed citation Europe PMC
21593107 PubMed citation Europe PMC
21691306 PubMed citation Europe PMC
22238407 PubMed citation Europe PMC
2539538 PubMed citation Europe PMC
25776074 PubMed citation Europe PMC
2811370 PubMed citation Europe PMC
2842358 PubMed citation Europe PMC
28904009 PubMed citation Europe PMC
30571232 PubMed citation Europe PMC
31006333 PubMed citation Europe PMC
3320570 PubMed citation Europe PMC
34871919 PubMed citation Europe PMC
35870737 PubMed citation Europe PMC
3613577 PubMed citation Europe PMC
3669665 PubMed citation Europe PMC
36921907 PubMed citation Europe PMC
3957417 PubMed citation Europe PMC
6602132 PubMed citation Europe PMC
8013138 PubMed citation Europe PMC
8038908 PubMed citation Europe PMC
8516344 PubMed citation Europe PMC
8753282 PubMed citation Europe PMC
8800594 PubMed citation Europe PMC
9279964 PubMed citation Europe PMC
9814482 PubMed citation Europe PMC
9831489 PubMed citation Europe PMC
Last Modified
30 March 2023