CHEBI:211238 - Torularhodin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Torularhodin
ChEBI ID CHEBI:211238
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C40H52O2
Net Charge 0
Average Mass 564.854
Monoisotopic Mass 564.39673
InChI InChI=1S/C40H52O2/c1-31(19-12-21-33(3)22-13-23-34(4)25-15-26-37(7)39(41)42)17-10-11-18-32(2)20-14-24-35(5)28-29-38-36(6)27-16-30-40(38,8)9/h10-15,17-26,28-29H,16,27,30H2,1-9H3,(H,41,42)/b11-10+,19-12+,20-14+,22-13+,25-15+,29-28+,31-17+,32-18+,33-21+,34-23+,35-24+,37-26+
InChIKey NESPPCWGYRQEJQ-VATUXEBJSA-N
SMILES O=C(O)/C(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(CCCC1(C)C)C)\C)\C)/C)/C)/C)/C
Metabolite of Species Details
Torula (NCBI:txid430997) See: DOI
ChEBI Ontology
Outgoing Torularhodin (CHEBI:211238) is a xanthophyll (CHEBI:27325)
IUPAC Name
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid
Manual Xrefs Databases
4444660 ChemSpider
C08607 KEGG COMPOUND
LMPR01070279 LIPID MAPS
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