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CHEBI:205897 - Conio-azasterol

ChEBI IDCHEBI:205897
ChEBI NameConio-azasterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H59NO6
Net Charge0
Average Mass733.990
Monoisotopic Mass733.43424
SMILESCC(C)=CCOC1=CC(=O)c2c(O)c3c(c4c(O)cc(C)c1c24)O[C@H]1C=C2C(=CC[C@]4(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]24)[C@@]2(C)CC[C@H](O)C[C@]12N3
InChIInChI=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
InChIKeyNOTBRCBKRZOPMH-PVXFBCSCSA-N
Species of MetaboliteComponentSourceComments
Neosetophoma cerealis (ncbitaxon:2718965) - PubMed (26840293)
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
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