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CHEBI:227663 - Sioxanthin

ChEBI IDCHEBI:227663
ChEBI NameSioxanthin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H60O7
Net Charge0
Average Mass712.968
Monoisotopic Mass712.43390
SMILESCC(/C=C/C=C(C)/C=C/C=C/C=C/[C@H](O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1c(C)ccc(C)c1C
InChIInChI=1S/C45H60O7/c1-31(18-12-10-11-13-25-40(47)45(8,9)52-44-43(50)42(49)41(48)39(30-46)51-44)21-16-22-32(2)19-14-15-20-33(3)23-17-24-34(4)26-29-38-36(6)28-27-35(5)37(38)7/h10-29,39-44,46-50H,30H2,1-9H3/b11-10+,15-14+,18-12+,22-16+,23-17+,25-13+,29-26+,31-21+,32-19+,33-20+,34-24+/t39-,40+,41-,42+,43-,44+/m1/s1
InChIKeyPWQGBBFDEMPNKU-BOCXIVQLSA-N
Species of MetaboliteComponentSourceComments
Salinisporaspecies (ncbitaxon:1979206) - PubMed (25329237)
ChEBI Ontology
Outgoing Relation(s)
Sioxanthin (CHEBI:227663) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-3-hydroxy-2,10,14,19,23-pentamethyl-25-(2,3,6-trimethylphenyl)pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-2-yl]oxyoxane-3,4,5-triol
Manual XrefsDatabases
44210964ChemSpider