CHEBI:138855 - 7-Benzylidenenaltrexone

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ChEBI Name 7-Benzylidenenaltrexone
ChEBI ID CHEBI:138855
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H27NO4
Net Charge 0
Average Mass 429.509
Monoisotopic Mass 429.19401
InChI InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12+/t21-,25+,26+,27-/m1/s1
InChIKey WXOUFNFMPVMGFZ-BDQAUFNLSA-N
SMILES [C@H]12C(/C(/C[C@@]3([C@@]14C=5C(C[C@H]3N(CC4)CC6CC6)=CC=C(C5O2)O)O)=C/C7=CC=CC=C7)=O
Roles Classification
Biological Role(s): xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
(via phenanthrenes )
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ChEBI Ontology
Outgoing 7-Benzylidenenaltrexone (CHEBI:138855) is a phenanthrenes (CHEBI:25961)
Synonym Source
BNTX KEGG COMPOUND
Manual Xref Database
C20167 KEGG COMPOUND
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Last Modified
26 October 2017