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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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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

			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

			Plantae (1926)

				Magnoliophyta (1872)

					Magnoliopsida (1649)

						Gentianales (112)

							Rubiaceae (58)

								Rubia (57)

Rubia yunnanensis (57)

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

			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