CHEBI:91230 - 2',2'-dihydroxy-2-oxospirilloxanthin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2',2'-dihydroxy-2-oxospirilloxanthin
ChEBI ID CHEBI:91230
Definition A carotenoid ether that is spirilloxanthin carrying an oxo group at position 2 as well as two hydroxy group, both at position 2'.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C42H58O5
Net Charge 0
Average Mass 642.908
Monoisotopic Mass 642.42842
InChI InChI=1S/C42H58O5/c1-33(21-15-23-35(3)25-17-27-37(5)29-30-39(43)40(7,8)46-11)19-13-14-20-34(2)22-16-24-36(4)26-18-28-38(6)31-32-42(44,45)41(9,10)47-12/h13-32,44-45H,1-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,30-29+,32-31+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+
InChIKey PMHQKXGSEPQTLQ-MRPVJXBNSA-N
SMILES C(=C(/C=C/C(C(OC)(C)C)(O)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',2'-dihydroxy-2-oxospirilloxanthin (CHEBI:91230) has functional parent spirilloxanthin (CHEBI:35328)
2',2'-dihydroxy-2-oxospirilloxanthin (CHEBI:91230) is a carotenoid ether (CHEBI:35329)
2',2'-dihydroxy-2-oxospirilloxanthin (CHEBI:91230) is a carotenol (CHEBI:23045)
2',2'-dihydroxy-2-oxospirilloxanthin (CHEBI:91230) is a carotenone (CHEBI:35310)
2',2'-dihydroxy-2-oxospirilloxanthin (CHEBI:91230) is a ketone hydrate (CHEBI:63734)
IUPAC Name
(3E,3'E)-2',2'-dihydroxy-1,1'-dimethoxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-ψ,ψ-caroten-2-one
Synonyms Sources
2',2'-dihydroxy-2-oxospirilloxanthin UniProt
2,2-dihydroxy-2'-oxospirilloxanthin SUBMITTER
Manual Xref Database
CPD-16864 MetaCyc
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Last Modified
11 April 2016