CHEBI:18298 - 3-hydroxy-2-methyl-3-phytyl-2,3-dihydro-1,4-naphthoquinone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-hydroxy-2-methyl-3-phytyl-2,3-dihydro-1,4-naphthoquinone
ChEBI ID CHEBI:18298
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11803, CHEBI:20035, CHEBI:1534
Supplier Information
Download Molfile XML SDF
Formula C31H48O3
Net Charge 0
Average Mass 468.71102
Monoisotopic Mass 468.36035
InChI InChI=1S/C31H48O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31(34)26(6)29(32)27-18-7-8-19-28(27)30(31)33/h7-8,18-20,22-24,26,34H,9-17,21H2,1-6H3/b25-20+/t23-,24-,26?,31?/m1/s1
InChIKey OOJSROHRRKVBFW-MNBFGQJISA-N
SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1(O)C(C)C(=O)c2ccccc2C1=O
ChEBI Ontology
Outgoing 3-hydroxy-2-methyl-3-phytyl-2,3-dihydro-1,4-naphthoquinone (CHEBI:18298) is a phylloquinones (CHEBI:26106)
3-hydroxy-2-methyl-3-phytyl-2,3-dihydro-1,4-naphthoquinone (CHEBI:18298) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name
2-hydroxy-3-methyl-2-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydro-1,4-naphthoquinone
Synonyms Sources
3-hydroxy-2-methyl-3-phytyl-2,3-dihydro-1,4-naphthoquinone UniProt
3-Hydroxy-2-methyl-3-phytyl-2,3-dihydronaphthoquinone KEGG COMPOUND
3-Hydroxy-vitamin K KEGG COMPOUND
Manual Xref Database
C02785 KEGG COMPOUND
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Last Modified
06 February 2018