CHEBI:181944 - Aflatrem

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ChEBI Name Aflatrem
ChEBI ID CHEBI:181944
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H39NO4
Net Charge 0
Average Mass 501.667
Monoisotopic Mass 501.28791
InChI InChI=1S/C32H39NO4/c1-8-27(2,3)20-10-9-11-21-24(20)19-16-18-12-13-31(35)23-17-22(34)26-28(4,5)37-32(23,36-26)15-14-29(31,6)30(18,7)25(19)33-21/h8-11,17-18,26,33,35H,1,12-16H2,2-7H3/t18-,26-,29+,30+,31+,32-/m0/s1
InChIKey YVDJBQQJIDPRKP-SLUQHKSNSA-N
SMILES O[C@]12[C@@]([C@@]3([C@@](CC1)(CC4=C3NC=5C4=C(C(C)(C)C=C)C=CC5)[H])C)(CC[C@]67O[C@](C(O6)(C)C)(C(=O)C=C27)[H])C
ChEBI Ontology
Outgoing Aflatrem (CHEBI:181944) is a organic heterotricyclic compound (CHEBI:26979)
Aflatrem (CHEBI:181944) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,4R,5S,16S,19S,23R)-19-hydroxy-4,5,24,24-tetramethyl-12-(2-methylbut-3-en-2-yl)-25,26-dioxa-7-azaheptacyclo[21.2.1.01,20.04,19.05,16.06,14.08,13]hexacosa-6(14),8,10,12,20-pentaen-22-one
Synonym Source
aflatrem UniProt
Manual Xrefs Databases
19976660 ChemSpider
C20555 KEGG COMPOUND
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Registry Number Type Source
70553-75-2 CAS Registry Number ChemIDplus
Last Modified
08 July 2022