CHEBI:31484 - Diflucortolone valerate

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ChEBI Name Diflucortolone valerate
ChEBI ID CHEBI:31484
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C27H36F2O5
C27H36F2O5
Net Charge 0
Average Mass 478.570
Monoisotopic Mass 478.25308
InChI InChI=1S/C27H36F2O5/c1-5-6-7-23(33)34-14-21(31)24-15(2)10-17-18-12-20(28)19-11-16(30)8-9-26(19,4)27(18,29)22(32)13-25(17,24)3/h8-9,11,15,17-18,20,22,24,32H,5-7,10,12-14H2,1-4H3/t15-,17+,18+,20+,22+,24-,25+,26+,27+/m1/s1
InChIKey HHJIUUAMYGBVSD-YTFFSALGSA-N
SMILES C(OC(CCCC)=O)C([C@H]1[C@@H](C[C@]2([C@]3([C@@]([C@H](C[C@@]21C)O)(F)[C@]4(C=CC(C=C4[C@H](C3)F)=O)C)[H])[H])C)=O
Roles Classification
Biological Role(s): 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 )
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ChEBI Ontology
Outgoing Diflucortolone valerate (CHEBI:31484) is a corticosteroid hormone (CHEBI:36699)
Synonym Source
Diflucortolone valerate KEGG COMPOUND
Manual Xref Database
D01764 KEGG DRUG
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Registry Number Type Source
59198-70-8 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017