(R)-12-hydroxysqualene (CHEBI:88123)

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CHEBI:88123 - (R)-12-hydroxysqualene

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ChEBI ID	CHEBI:88123
ChEBI Name	(R)-12-hydroxysqualene
Stars
ASCII Name	(R)-12-hydroxysqualene
Definition	A triterpenoid that is squalene substituted at position 12 by a hydroxy group (the R-enantiomer).
Last Modified	2 November 2015
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C30H50O
Net Charge	0
Average Mass	426.729
Monoisotopic Mass	426.38617
SMILES	CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H](O)/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChI	InChI=1S/C30H50O/c1-24(2)13-9-15-26(5)17-11-19-28(7)21-22-30(31)23-29(8)20-12-18-27(6)16-10-14-25(3)4/h13-14,17-18,21,23,30-31H,9-12,15-16,19-20,22H2,1-8H3/b26-17+,27-18+,28-21+,29-23+/t30-/m1/s1
InChIKey	IBTBZLYRNUPSAW-HWKIJRFISA-N

Roles Classification

Biological Role:

bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

ChEBI Ontology

Outgoing Relation(s)
	(R)-12-hydroxysqualene (CHEBI:88123) has parent hydride squalene (CHEBI:15440)
	(R)-12-hydroxysqualene (CHEBI:88123) has role bacterial metabolite (CHEBI:76969)
	(R)-12-hydroxysqualene (CHEBI:88123) is a secondary alcohol (CHEBI:35681)
	(R)-12-hydroxysqualene (CHEBI:88123) is a triterpenoid (CHEBI:36615)

IUPAC Name
(6E,10E,12R,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-12-ol

Synonym	Source
(12R)-hydroxysqualene	ChEBI

UniProt Name	Source
hydroxysqualene	UniProt

Manual Xrefs	Databases
CPD-18508	MetaCyc

Registry Numbers	Sources
Reaxys:7256007	Reaxys

Citations