CHEBI:205897 - Conio-azasterol

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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 Conio-azasterol
ChEBI ID CHEBI:205897
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C47H59NO6
Net Charge 0
Average Mass 733.990
Monoisotopic Mass 733.43424
InChI InChI=1S/C47H59NO6/c1-24(2)16-19-53-36-22-35(51)39-41-38(36)28(7)20-34(50)40(41)44-42(43(39)52)48-47-23-29(49)14-18-46(47,9)33-15-17-45(8)31(27(6)11-10-26(5)25(3)4)12-13-32(45)30(33)21-37(47)54-44/h10-11,15-16,20-22,25-27,29,31-32,37,48-50,52H,12-14,17-19,23H2,1-9H3/b11-10+/t26-,27+,29-,31+,32-,37-,45+,46+,47-/m0/s1
InChIKey NOTBRCBKRZOPMH-PVXFBCSCSA-N
SMILES O=C1C2=C(O)C=3N[C@]45[C@@](C=6C([C@H]7[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC7)(C)CC6)=C[C@@H]4OC3C=8C2=C(C(C)=CC8O)C(=C1)OCC=C(C)C)(CC[C@@H](C5)O)C
Metabolite of Species Details
Neosetophoma cerealis (NCBI:txid2718965) See: PubMed
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Conio-azasterol (CHEBI:205897) is a vitamin D (CHEBI:27300)
IUPAC Name
(4S,7R,10R,11R,15R,18S,20R)-10-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-18,23,31-trihydroxy-11,15,29-trimethyl-27-(3-methylbut-2-enoxy)-3-oxa-21-azaoctacyclo[22.7.1.02,22.04,20.06,14.07,11.015,20.028,32]dotriaconta-1(31),2(22),5,13,23,26,28(32),29-octaen-25-one