CHEBI:169675 - 4-Carboxynevirapine

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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 4-Carboxynevirapine
ChEBI ID CHEBI:169675
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H12N4O3
Net Charge 0
Average Mass 296.286
Monoisotopic Mass 296.09094
InChI InChI=1S/C15H12N4O3/c20-14-10-2-1-6-16-12(10)19(8-3-4-8)13-11(18-14)9(15(21)22)5-7-17-13/h1-2,5-8H,3-4H2,(H,18,20)(H,21,22)
InChIKey WDXCMIDQWGYHIN-UHFFFAOYSA-N
SMILES O=C1NC=2C(N(C3CC3)C=4N=CC=CC41)=NC=CC2C(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-Carboxynevirapine (CHEBI:169675) is a aromatic amine (CHEBI:33860)
4-Carboxynevirapine (CHEBI:169675) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
2-cyclopropyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene-7-carboxylic acid
Manual Xrefs Databases
8884376 ChemSpider
HMDB0060759 HMDB
View more database links
Registry Number Type Source
245501-02-4 CAS Registry Number ChemIDplus