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CHEBI:89489 - 2-methyl-3-[(2E)-5-carboxy-3-methylpent-2-enyl]-1,4-naphthoquinone

ChEBI IDCHEBI:89489
ChEBI Name2-methyl-3-[(2E)-5-carboxy-3-methylpent-2-enyl]-1,4-naphthoquinone
Stars
ASCII Name2-methyl-3-[(2E)-5-carboxy-3-methylpent-2-enyl]-1,4-naphthoquinone
DefinitionA member of the class of naphthoquinones that is 2-methyl-1,4-naphthoquinone which is substituted at position 3 by a (2E)-5-carboxy-3-methylpent-2-en-1-yl group. A urinary metabolite of vitamin K1.
Last Modified22 June 2017
DownloadsMolfile
FormulaC18H18O4
Net Charge0
Average Mass298.338
Monoisotopic Mass298.12051
SMILESCC1=C(C/C=C(\C)CCC(=O)O)C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H18O4/c1-11(8-10-16(19)20)7-9-13-12(2)17(21)14-5-3-4-6-15(14)18(13)22/h3-7H,8-10H2,1-2H3,(H,19,20)/b11-7+
InChIKeyBCNIZSHMXASUGF-YRNVUSSQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (17585028)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
2-methyl-3-[(2E)-5-carboxy-3-methylpent-2-enyl]-1,4-naphthoquinone (CHEBI:89489) has role human urinary metabolite (CHEBI:84087)
2-methyl-3-[(2E)-5-carboxy-3-methylpent-2-enyl]-1,4-naphthoquinone (CHEBI:89489) is a 1,4-naphthoquinones (CHEBI:132142)
2-methyl-3-[(2E)-5-carboxy-3-methylpent-2-enyl]-1,4-naphthoquinone (CHEBI:89489) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
(4E)-4-methyl-6-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)hex-4-enoic acid
Synonyms  Source
(4E)-4-methyl-6-(3-methyl-1,4-naphthoquinon-2-yl)hex-4-enoic acidChEBI
trans-2-methyl-3-(5'-carboxy-3'-methylpent-2'-enyl)-1,4-naphthoquinoneChEBI
Manual XrefsDatabases
HMDB0004808HMDB
Citations