CHEBI:187070 - Dehydroxypaxilline

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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 Dehydroxypaxilline
ChEBI ID CHEBI:187070
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H33NO3
Net Charge 0
Average Mass 419.565
Monoisotopic Mass 419.24604
InChI InChI=1S/C27H33NO3/c1-25(2,30)24-21(29)14-18-19-10-9-15-13-17-16-7-5-6-8-20(16)28-23(17)27(15,4)26(19,3)12-11-22(18)31-24/h5-8,14-15,19,22,24,28,30H,9-13H2,1-4H3/t15-,19-,22-,24-,26-,27+/m0/s1
InChIKey GYSZYWSJZCKCBD-LXGUAGHKSA-N
SMILES O1[C@@]2(C([C@]3([C@@]([C@@]4([C@@](CC3)(CC5=C4NC=6C5=CC=CC6)[H])C)(CC2)C)[H])=CC(=O)[C@]1(C(O)(C)C)[H])[H]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Dehydroxypaxilline (CHEBI:187070) is a organic heterotricyclic compound (CHEBI:26979)
Dehydroxypaxilline (CHEBI:187070) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,2S,5S,7R,11R,14S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-8-one
Synonym Source
13-desoxypaxilline UniProt
Manual Xrefs Databases
10270586 ChemSpider
C20531 KEGG COMPOUND
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Last Modified
08 July 2022