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CHEBI:188332 - Siphonaxanthin ester/ Siphonaxanthin dodecenoate/ (Siphonein)

ChEBI IDCHEBI:188332
ChEBI NameSiphonaxanthin ester/ Siphonaxanthin dodecenoate/ (Siphonein)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H76O5
Net Charge0
Average Mass781.175
Monoisotopic Mass780.56928
SMILESCCCCCCCCC/C=C/C(=O)OC/C(=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)C(=O)CC1=C(C)C[C@@H](O)CC1(C)C
InChIInChI=1S/C52H76O5/c1-11-12-13-14-15-16-17-18-19-30-50(56)57-38-44(49(55)35-48-43(6)34-46(54)37-52(48,9)10)29-23-28-40(3)25-21-20-24-39(2)26-22-27-41(4)31-32-47-42(5)33-45(53)36-51(47,7)8/h19-33,45-47,53-54H,11-18,34-38H2,1-10H3/b21-20+,26-22+,28-23+,30-19+,32-31+,39-24+,40-25+,41-27+,44-29+/t45-,46+,47-/m0/s1
InChIKeyUERRVASYDCUNEJ-SLVWFMFBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Siphonaxanthin ester/ Siphonaxanthin dodecenoate/ (Siphonein) (CHEBI:188332) is a xanthophyll (CHEBI:27325)
IUPAC Name 
[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-2-[2-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]acetyl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaenyl] (E)-dodec-2-enoate
Manual XrefsDatabases
LMPR01070159LIPID MAPS
17220941ChemSpider