CHEBI:91227 - 2-hydroxyspirilloxanthin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-hydroxyspirilloxanthin
ChEBI ID CHEBI:91227
Definition A carotenoid ether that is spirilloxanthin substituted at position 2 by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C42H60O3
Net Charge 0
Average Mass 612.926
Monoisotopic Mass 612.45425
InChI InChI=1S/C42H60O3/c1-34(22-15-24-36(3)26-17-28-38(5)30-19-33-41(7,8)44-11)20-13-14-21-35(2)23-16-25-37(4)27-18-29-39(6)31-32-40(43)42(9,10)45-12/h13-32,40,43H,33H2,1-12H3/b14-13+,22-15+,23-16+,26-17+,27-18+,30-19+,32-31+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+
InChIKey AVHQKPCIRVFOIC-MRLRKSOKSA-N
SMILES C(=C(\C=C\CC(OC)(C)C)/C)/C=C/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-hydroxyspirilloxanthin (CHEBI:91227) has functional parent spirilloxanthin (CHEBI:35328)
2-hydroxyspirilloxanthin (CHEBI:91227) is a carotenoid ether (CHEBI:35329)
2-hydroxyspirilloxanthin (CHEBI:91227) is a carotenol (CHEBI:23045)
IUPAC Name
(3E,3'E)-1,1'-dimethoxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-ψ,ψ-caroten-2-ol
Synonyms Sources
2-hydroxyspirilloxanthin UniProt
spirilloxanthin-2-ol ChEBI
Manual Xref Database
CPD-16861 MetaCyc
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Last Modified
11 April 2016