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CHEBI:8341 - Portulacaxanthin II

ChEBI IDCHEBI:8341
ChEBI NamePortulacaxanthin II
Stars
Last Modified23 October 2015
DownloadsMolfile
FormulaC18H18N2O7
Net Charge0
Average Mass374.349
Monoisotopic Mass374.11140
SMILESO=C(O)C1=C/C(=C/C=N\[C@@H](Cc2ccc(O)cc2)C(=O)O)C[C@@H](C(=O)O)N1
InChIInChI=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
InChIKeyMBFJCQLVRQZZOV-MRHCINOSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (22624806)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Portulacaxanthin II (CHEBI:8341) is a monocarboxylic acid (CHEBI:25384)
Synonyms  Source
Portulacaxanthin IIKEGG COMPOUND
(4E)-4-[(2E)-2-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acidHMDB
Tyrosine-betaxanthinHMDB
Manual XrefsDatabases
C08565KEGG COMPOUND
C00001604KNApSAcK
CPD-8670MetaCyc
HMDB0012281HMDB
Registry NumbersSources
CAS:135545-98-1KEGG COMPOUND
Citations