CHEBI:8341 - Portulacaxanthin II

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ChEBI Name Portulacaxanthin II ChEBI ID CHEBI:8341 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formulae C18H18N2O7 C18H18N2O7 Net Charge 0 Average Mass 374.345 Monoisotopic Mass 374.11140 InChI InChI=1S/C18H18N2O7/c21-12-3-1-10(2-4-12)7-13(16(22)23)19-6-5-11-8-14(17(24)25)20-15(9-11)18(26)27/h1-6,8,13,15,20-21H,7,9H2,(H,22,23)(H,24,25)(H,26,27)/b11-5-,19-6-/t13-,15-/m0/s1 InChIKey MBFJCQLVRQZZOV-MRHCINOSSA-N SMILES OC(=O)[C@H](Cc1ccc(O)cc1)\N=C/C=C1C[C@H](NC(=C\1)C(O)=O)C(O)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing Portulacaxanthin II (CHEBI:8341) is a monocarboxylic acid (CHEBI:25384) Synonyms Sources (4E)-4-[(2E)-2-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid HMDB Portulacaxanthin II KEGG COMPOUND Tyrosine-betaxanthin HMDB Manual Xrefs Databases C00001604 KNApSAcK C08565 KEGG COMPOUND CPD-8670 MetaCyc HMDB0012281 HMDB View more database links Registry Number Type Source 135545-98-1 CAS Registry Number KEGG COMPOUND Citation Type Source 22624806 PubMed citation Europe PMC Last Modified 23 October 2015