CHEBI:91229 - 2'-hydroxy-2-oxospirilloxanthin

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ChEBI Name 2'-hydroxy-2-oxospirilloxanthin
ChEBI ID CHEBI:91229
Definition A carotenoid ether that is spirilloxanthin substituted at positions 2 and 2' by oxo and hydroxy groups respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C42H58O4
Net Charge 0
Average Mass 626.909
Monoisotopic Mass 626.43351
InChI InChI=1S/C42H58O4/c1-33(21-15-23-35(3)25-17-27-37(5)29-31-39(43)41(7,8)45-11)19-13-14-20-34(2)22-16-24-36(4)26-18-28-38(6)30-32-40(44)42(9,10)46-12/h13-32,39,43H,1-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,31-29+,32-30+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+
InChIKey UMEYQXNKNUVLNE-YDDLGYPNSA-N
SMILES C(=C(/C=C/C(C(OC)(C)C)O)\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'-hydroxy-2-oxospirilloxanthin (CHEBI:91229) has functional parent spirilloxanthin (CHEBI:35328)
2'-hydroxy-2-oxospirilloxanthin (CHEBI:91229) is a carotenoid ether (CHEBI:35329)
2'-hydroxy-2-oxospirilloxanthin (CHEBI:91229) is a carotenol (CHEBI:23045)
2'-hydroxy-2-oxospirilloxanthin (CHEBI:91229) is a carotenone (CHEBI:35310)
IUPAC Name
(3E,3'E)-2'-hydroxy-1,1'-dimethoxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-ψ,ψ-caroten-2-one
Synonyms Sources
2'-hydroxy-2-oxospirilloxanthin UniProt
2-hydroxy-2'-oxospirilloxanthin SUBMITTER
Manual Xref Database
CPD-16863 MetaCyc
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Last Modified
11 April 2016