presqualene alcohol (CHEBI:176962)

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CHEBI:176962 - presqualene alcohol

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ChEBI ID	CHEBI:176962
ChEBI Name	presqualene alcohol
Stars
Last Modified	30 July 2021
Submitter	laimo
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@H]1[C@H](CO)[C@@]1(C)CC/C=C(\C)CCC=C(C)C
InChI	InChI=1S/C30H50O/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-29(22-31)30(28,8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29,31H,9-12,15-16,18,20,22H2,1-8H3/b25-17+,26-19+,27-21+/t28-,29-,30-/m0/s1
InChIKey	XLTBFLSFXLLDAZ-VYCBRMPGSA-N

ChEBI Ontology

Outgoing Relation(s)
	presqualene alcohol (CHEBI:176962) is a triterpenoid (CHEBI:36615)
Incoming Relation(s)
	presqualene diphosphate (CHEBI:15442) has functional parent presqualene alcohol (CHEBI:176962)
	presqualene monophosphate (CHEBI:134117) has functional parent presqualene alcohol (CHEBI:176962)
	presqualene monophosphate(2−) (CHEBI:176803) has functional parent presqualene alcohol (CHEBI:176962)

IUPAC Name
{(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methanol

UniProt Name	Source
presqualene alcohol	UniProt

Registry Numbers	Sources
CAS:31908-49-3	ChemIDplus

Citations