CHEBI:91221 - 2-hydroxyspheroidene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-hydroxyspheroidene
ChEBI ID CHEBI:91221
Definition A carotenoid ether that is spheroidene substituted at position 2 by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C41H60O2
Net Charge 0
Average Mass 584.915
Monoisotopic Mass 584.45933
InChI InChI=1S/C41H60O2/c1-33(2)19-14-22-36(5)25-17-28-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-27-38(7)29-18-30-39(8)31-32-40(42)41(9,10)43-11/h12-13,15-16,18-21,23-27,29-32,40,42H,14,17,22,28H2,1-11H3/b13-12+,23-15+,24-16+,29-18+,32-31+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
InChIKey IYSJCVOSCTVRGJ-FZFXUSNISA-N
SMILES C(=C(/CCC=C(C)C)\C)\CC/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C(C(OC)(C)C)O)\C)\C)\C)/C)/C
ChEBI Ontology
Outgoing 2-hydroxyspheroidene (CHEBI:91221) has functional parent spheroidene (CHEBI:35330)
2-hydroxyspheroidene (CHEBI:91221) is a carotenoid ether (CHEBI:35329)
2-hydroxyspheroidene (CHEBI:91221) is a carotenol (CHEBI:23045)
IUPAC Name
(3E)-1-methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-ψ,ψ-caroten-2-ol
Synonyms Sources
2-hydroxyspheroidene UniProt
spheroiden-2-ol MetaCyc
Manual Xref Database
CPD-16859 MetaCyc
View more database links
Registry Number Type Source
1717935 Reaxys Registry Number Reaxys
Last Modified
11 April 2016