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CHEBI:143013 - 1'-hydroxy-demethylspheroidene

ChEBI IDCHEBI:143013
ChEBI Name1'-hydroxy-demethylspheroidene
Stars
DefinitionA carotenol obtained by formal hydration of a double bond at position 1' of demethylspheroidene.
Last Modified18 February 2019
SubmitterAnne Morgat
DownloadsMolfile
FormulaC40H60O2
Net Charge0
Average Mass572.918
Monoisotopic Mass572.45933
SMILESCC(/C=C/C=C(C)/C=C/C=C(C)/C=C/CC(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(/C)CC/C=C(\C)CCCC(C)(C)O
InChIInChI=1S/C40H60O2/c1-33(21-13-23-35(3)25-15-27-37(5)29-17-31-39(7,8)41)19-11-12-20-34(2)22-14-24-36(4)26-16-28-38(6)30-18-32-40(9,10)42/h11-15,17,19-25,27-29,41-42H,16,18,26,30-32H2,1-10H3/b12-11+,21-13+,22-14+,25-15+,29-17+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+
InChIKeyQWBRVLJPJJNHCQ-SDTALWBMSA-N
ChEBI Ontology
Outgoing Relation(s)
1'-hydroxy-demethylspheroidene (CHEBI:143013) has functional parent demethylspheroidene (CHEBI:62505)
1'-hydroxy-demethylspheroidene (CHEBI:143013) is a carotenol (CHEBI:23045)
1'-hydroxy-demethylspheroidene (CHEBI:143013) is a diol (CHEBI:23824)
1'-hydroxy-demethylspheroidene (CHEBI:143013) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(3E)-3,4-didehydro-1,1',2,2',7',8'-hexahydro-ψ,ψ-carotene-1,1'-diol
Synonyms  Source
1-OH-DMSSUBMITTER
1,1'-dihydroxy-demethylspheroideneChEBI
1'-hydroxydemethylspheroideneChEBI
1-OH-demethylspheroideneLIPID MAPS
UniProt Name  Source
1'-hydroxy-demethylspheroideneUniProt
Manual XrefsDatabases
LMPR01070213LIPID MAPS
Citations