loading...| Preferred Name |
phylloquinone |
|
| Synonyms |
PHYLLOQUINONE 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione phylloquinone Phylloquinone Phytylmenadione vitamin K1 Mephyton trans-Phylloquinone 2-Methyl-3-phytyl-1,4-naphthochinon fitomenadiona phytomenadione phytonadione 3-phytylmenadione Vitamin K1 2-methyl-3-phytyl-1,4-naphthoquinone Phyllochinonum 2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione Phytonadionum phytomenadionum Phyllochinon alpha-phylloquinone vitamin K1(20) fitomenadione 2-Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone |
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| Definitions |
A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_18067 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:33793953 PMID:10893417 PMID:10701947 Reaxys:2568816 Drug_Central:2843 PMID:21169510 PMID:15686525 PMID:5511811 PMID:11003724 LIPID_MAPS_instance:LMPR02030028 PMID:32221088 Wikipedia:Phytomenadione PMID:19588895 PMID:32090699 PMID:2851012 PMCID:PMC6577341 HMDB:HMDB0003555 PMID:27337968 PMID:30609653 PMID:32222983 KEGG:D00148 PMID:7657478 PMID:19996170 PMID:33968245 PDBeChem:PQN KNApSAcK:C00002868 CAS:84-80-0 PMID:21645693 PMID:15773196 PMID:32109957 PMCID:PMC8180628 PMID:21914559 PMID:34134516 KEGG:C02059 PMID:21844348 PMID:1009028 DrugBank:DB01022 PMID:32445363 MetaCyc:2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE Chemspider:4447652 |
|
| definition |
A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones. |
|
| formula |
C31H46O2 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_76924 |
|
| has_alternative_id |
CHEBI:11611 CHEBI:45148 CHEBI:14833 CHEBI:26105 CHEBI:8181 |
|
| has_exact_synonym |
PHYLLOQUINONE 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione phylloquinone Phylloquinone |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Phytylmenadione vitamin K1 Mephyton trans-Phylloquinone 2-Methyl-3-phytyl-1,4-naphthochinon fitomenadiona phytomenadione phytonadione 3-phytylmenadione Vitamin K1 2-methyl-3-phytyl-1,4-naphthoquinone Phyllochinonum 2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione Phytonadionum phytomenadionum Phyllochinon alpha-phylloquinone vitamin K1(20) fitomenadione 2-Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone |
|
| id |
CHEBI:18067 |
|
| in_subset | ||
| inchi |
InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1 |
|
| inchikey |
MBWXNTAXLNYFJB-NKFFZRIASA-N |
|
| label |
phylloquinone |
|
| mass |
450.707 |
|
| monoisotopicmass |
450.34978 |
|
| notation |
CHEBI:18067 |
|
| prefLabel |
phylloquinone |
|
| smiles |
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O |
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| treeView | ||
| subClassOf |