EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:219950 - Salinixanthin

ChEBI IDCHEBI:219950
ChEBI NameSalinixanthin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H92O9
Net Charge0
Average Mass969.398
Monoisotopic Mass968.67413
SMILESCC1=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(C)/C=C/[C@H](O)C(C)(C)O[C@H]2O[C@@H](COC(=O)CCCCCCCCCCCC(C)C)[C@H](O)[C@@H](O)[C@@H]2O)C(C)(C)CCC1=O
InChIInChI=1S/C61H92O9/c1-44(2)27-20-18-16-14-13-15-17-19-21-36-55(64)68-43-53-56(65)57(66)58(67)59(69-53)70-61(11,12)54(63)40-38-49(7)35-26-33-47(5)32-24-30-45(3)28-22-23-29-46(4)31-25-34-48(6)37-39-51-50(8)52(62)41-42-60(51,9)10/h22-26,28-35,37-40,44,53-54,56-59,63,65-67H,13-21,27,36,41-43H2,1-12H3/b23-22+,30-24+,31-25+,33-26+,39-37+,40-38+,45-28+,46-29+,47-32+,48-34+,49-35+/t53-,54-,56-,57+,58-,59+/m0/s1
InChIKeyBUNXUZXQWPTVHM-XGQIOHMRSA-N
Species of MetaboliteComponentSourceComments
Salinibacter ruber (ncbitaxon:146919) - PubMed (12350161)
ChEBI Ontology
Outgoing Relation(s)
Salinixanthin (CHEBI:219950) is a xanthophyll (CHEBI:27325)
IUPAC Name 
[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-3-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-2-yl]oxyoxan-2-yl]methyl 13-methyltetradecanoate
Manual XrefsDatabases
78441934ChemSpider