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CHEBI:181747 - 4-Ketozeinoxanthin

ChEBI IDCHEBI:181747
ChEBI Name4-Ketozeinoxanthin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H54O2
Net Charge0
Average Mass566.870
Monoisotopic Mass566.41238
SMILESCC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C
InChIInChI=1S/C40H54O2/c1-29(18-13-20-31(3)23-25-35-33(5)22-15-27-39(35,7)8)16-11-12-17-30(2)19-14-21-32(4)24-26-36-34(6)38(42)37(41)28-40(36,9)10/h11-14,16-26,35,37,41H,15,27-28H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,29-16+,30-17+,31-20+,32-21+/t35-,37-/m0/s1
InChIKeyNBZUTADSSFCRRV-HIUJFTPLSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - DOI (10.1016/j.tetlet.2014.10.033)
ChEBI Ontology
Outgoing Relation(s)
4-Ketozeinoxanthin (CHEBI:181747) is a xanthophyll (CHEBI:27325)
IUPAC Names 
(6S)-6-hydroxy-2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
(6S)-6-hydroxy-2,4,4-trimethyl-3-[3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one