CHEBI:183532 - Carcinomedin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Carcinomedin
ChEBI ID CHEBI:183532
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H44O3
Net Charge 0
Average Mass 428.657
Monoisotopic Mass 428.32905
InChI InChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h11-12,18-19,23-25,29,31H,3,7-10,13-17H2,1-2,4-6H3/b21-11+,22-12-/t18-,19-,23-,24-,25+,28-/m1/s1
InChIKey VJDIEVNLNBFADS-RMGPMDOMSA-N
SMILES OC([C@@H](CC[C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C\3/C[C@@H](O)CC(=O)C3=C)[H])C)[H])C)C)(C)C
Metabolite of Species Details
Ganoderma lucidum (NCBI:txid5315) Found in primordium (BTO:0001886). See: MetaboLights Study
Ganoderma lucidum (NCBI:txid5315) Found in fruit body (BTO:0000487). See: MetaboLights Study
Roles Classification
Biological Role(s): 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 D )
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ChEBI Ontology
Outgoing Carcinomedin (CHEBI:183532) is a vitamin D (CHEBI:27300)
IUPAC Name
(3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-6-hydroxy-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-2-methylidenecyclohexan-1-one
Manual Xrefs Databases
24823397 ChemSpider
LMST03060003 LIPID MAPS
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