hydrocortisone succinate (CHEBI:31677)

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CHEBI:31677 - hydrocortisone succinate

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ChEBI ID	CHEBI:31677
ChEBI Name	hydrocortisone succinate
Stars
Definition	A derivative of succinic acid in which one of the carboxy groups is esterified by the C-21 hydroxy group of cortisol (hydrocortisone).
Secondary ChEBI ID	CHEBI:199284
Last Modified	7 February 2018
Downloads	Molfile

Formula	C25H34O8
Net Charge	0
Average Mass	462.539
Monoisotopic Mass	462.22537
SMILES	[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC(=O)O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@@]21C
InChI	InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1
InChIKey	VWQWXZAWFPZJDA-CGVGKPPMSA-N

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
	hydrocortisone succinate (CHEBI:31677) has functional parent cortisol (CHEBI:17650)
	hydrocortisone succinate (CHEBI:31677) is a corticosteroid hormone (CHEBI:36699)
	hydrocortisone succinate (CHEBI:31677) is a dicarboxylic acid monoester (CHEBI:36244)
	hydrocortisone succinate (CHEBI:31677) is a hemisuccinate (CHEBI:138979)
	hydrocortisone succinate (CHEBI:31677) is a organic molecular entity (CHEBI:50860)
	hydrocortisone succinate (CHEBI:31677) is a tertiary α-hydroxy ketone (CHEBI:139592)

Synonyms	Source
11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-(hydrogensuccinate)	KEGG COMPOUND
11β,17α,21-trihydroxypregn-4-ene-3,20-dione 21-succinate	LIPID MAPS
Cortisol succinate	KEGG COMPOUND
hydrocortisone hemisuccinate anhydrous	ChEMBL
Hydrocortisone hemisuccinate anhydrous	ChEMBL
Hydrocortisone succinate	KEGG COMPOUND

Manual Xrefs	Databases
4456	DrugCentral
C12888	KEGG COMPOUND
D01442	KEGG DRUG
LMST02030126	LIPID MAPS
LSM-5816	LINCS

Citations