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squalene
A triterpene consisting of 2,6,10,15,19,23-hexamethyltetracosane having six double bonds at the 2-, 6-, 10-, 14-, 18- and 22-positions with (all-E)-configuration.


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04. Bioactive Capabilities of Specific Chemicals : Oxidoreductases [EC:1] > Acting on paired donors, with incorporation or reduction of molecular oxygen [EC:1.14] > With NADH or NADPH as one donor, and incorporation of one atom of oxygen [EC:1.14.13]
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03. Biological Effects of Specific Chemicals: biochemical uses [CHEBI:52206]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 metabolite [CHEBI:25212] (2692) 
 secondary metabolite [CHEBI:26619] (2225) 
 squalene [CHEBI:15440] (1)
04. Bioactive Capabilities of Specific Chemicals  
04. Bioactive Capabilities of Specific Chemicals
 Oxidoreductases [EC:1] (1697) 
 Acting on the CH-CH group of donors [EC:1.3] (238) 
 With NAD or NADP as acceptor [EC:1.3.1] (140) 
 Botryococcus squalene synthase [EC:1.3.1.96] (6) 
 squalene [CHEBI:15440] (1)
 Acting on paired donors, with incorporation or reduction of molecular oxygen [EC:1.14] (587) 
 With NADH or NADPH as one donor, and incorporation of one atom of oxygen [EC:1.14.13] (391) 
 Squalene monooxygenase [EC:1.14.13.132] (7) 
 squalene [CHEBI:15440] (1)
 Transferases [EC:2] (1441) 
 Transferring one-carbon groups [EC:2.1] (318) 
 Methyltransferases [EC:2.1.1] (279) 
 Squalene methyltransferase [EC:2.1.1.262] (6) 
 squalene [CHEBI:15440] (1)
 Transferring alkyl or aryl groups, other than methyl groups [EC:2.5] (171) 
 Transferring Alkyl or Aryl Groups, Other than Methyl Groups [EC:2.5.1] (171) 
 Squalene synthase [EC:2.5.1.21] (9) 
 squalene [CHEBI:15440] (1)
 Lyases [EC:4] (743) 
 Carbon-oxygen lyases [EC:4.2] (393) 
 Hydro-Lyases [EC:4.2.1] (219) 
 Tetrahymanol synthase [EC:4.2.1.123] (3) 
 squalene [CHEBI:15440] (1)
 Squalene--hopanol cyclase [EC:4.2.1.129] (3) 
 squalene [CHEBI:15440] (1)
 Isomerases [EC:5] (351) 
 Intramolecular transferases (mutases) [EC:5.4] (104) 
 Transferring Other Groups [EC:5.4.99] (56) 
 Squalene--hopene cyclase [EC:5.4.99.17] (2) 
 squalene [CHEBI:15440] (1)
 Dammaradiene synthase [EC:5.4.99.37] (2) 
 squalene [CHEBI:15440] (1)
06. Name of Biological Source of Chemical 
06. Name of Biological Source of Chemical
 Plantae (1926) 
 Magnoliophyta (1872) 
 Magnoliopsida (1649) 
 Gentianales (112) 
 Rubiaceae (58) 
 Rubia (57) 
 Rubia yunnanensis (57)
07. Part of Biological Source of Chemical 
07. Part of Biological Source of Chemical
 plant structure [PO:0009011] (1497) 
 multi-tissue plant structure [PO:0025496] (1114) 
 plant organ [PO:0009008] (970) 
 plant axis [PO:0025004] (691) 
 root [PO:0009005] (486)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 s-block molecular entity [CHEBI:33674] (7287) 
 hydrogen molecular entity [CHEBI:33608] (6932) 
 hydrides [CHEBI:33692] (1374) 
 organic hydride [CHEBI:37175] (1178) 
 organic fundamental parent [CHEBI:33245] (1178) 
 hydrocarbon [CHEBI:24632] (505) 
 terpene [CHEBI:35186] (296) 
 triterpene [CHEBI:35191] (28) 
 squalene [CHEBI:15440] (1)
 p-block molecular entity [CHEBI:33675] (25343) 
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 lipid [CHEBI:18059] (3532) 
 isoprenoid [CHEBI:24913] (1402) 
 terpene [CHEBI:35186] (296) 
 triterpene [CHEBI:35191] (28) 
 squalene [CHEBI:15440] (1)
 isoprenoid [CHEBI:24913] (1402) 
 terpene [CHEBI:35186] (296) 
 triterpene [CHEBI:35191] (28) 
 squalene [CHEBI:15440] (1)
 organic fundamental parent [CHEBI:33245] (1178) 
 hydrocarbon [CHEBI:24632] (505) 
 terpene [CHEBI:35186] (296) 
 triterpene [CHEBI:35191] (28) 
 squalene [CHEBI:15440] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 hydrides [CHEBI:33692] (1374) 
 organic hydride [CHEBI:37175] (1178) 
 organic fundamental parent [CHEBI:33245] (1178) 
 hydrocarbon [CHEBI:24632] (505) 
 terpene [CHEBI:35186] (296) 
 triterpene [CHEBI:35191] (28) 
 squalene [CHEBI:15440] (1)
ChEBI Compound Accession Identifier  [CHEBI:15440]
ChEBI Compound Description  A triterpene consisting of 2,6,10,15,19,23-hexamethyltetracosane having six double bonds at the 2-, 6-, 10-, 14-, 18- and 22-positions with (all-E)-configuration.
ChEBI Compound Identification Number  15440
ChEBI InChI Value  InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
ChEBI InChIKey Value  YYGNTYWPHWGJRM-AAJYLUCBSA-N
ChEBI Compound Name  squalene
ChEBI SMILES Value  CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
ChEBI Substance ID  8143400
ChEBI URL  ChEBI:15440
ChemSpider ID  553635
Ontomatica Chemical Accession Key (OnChAKey)  YYGNTYWPHWGJRM_AAJYLUCBSA_N_000_000000
PubChem Compound ID  638072