CHEBI:209932 - Merochlorin E

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ChEBI Name Merochlorin E
ChEBI ID CHEBI:209932
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H33ClO5
Net Charge 0
Average Mass 461.000
Monoisotopic Mass 460.20165
InChI InChI=1S/C26H33ClO5/c1-14(2)16(10-19-15(3)8-7-9-24(19,4)5)13-26(32)22(30)18-11-17(28)12-20(29)21(18)23(31)25(26,6)27/h8,11-12,19,28-29,32H,7,9-10,13H2,1-6H3/t19-,25-,26-/m1/s1
InChIKey QYGRDYUHWNHSEG-WGURPXDASA-N
SMILES Cl[C@@]1(C(=O)C2=C(O)C=C(O)C=C2C([C@]1(O)CC(=C(C)C)C[C@@H]3C(=CCCC3(C)C)C)=O)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via vitamin K )
fat-soluble vitamin (role)
Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
(via vitamin K )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Merochlorin E (CHEBI:209932) is a vitamin K (CHEBI:28384)
IUPAC Name
(2R,3S)-3-chloro-2,5,7-trihydroxy-3-methyl-2-[3-methyl-2-[[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]methyl]but-2-enyl]naphthalene-1,4-dione
Manual Xref Database
77001836 ChemSpider
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