CHEBI:192223 - Monoanhydroescholtzxanthin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Monoanhydroescholtzxanthin
ChEBI ID CHEBI:192223
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H52O
Net Charge 0
Average Mass 548.855
Monoisotopic Mass 548.40182
InChI InChI=1S/C40H52O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-28,36,41H,29H2,1-10H3/b16-11+,17-12+,20-13+,21-14+,30-18+,31-19+,32-23+,33-24+,37-25+,38-26+/t36-/m0/s1
InChIKey MSJNXGZSUAPJJA-HRHORWMMSA-N
SMILES O[C@@H]1CC(/C(/C(=C1)C)=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C/C(=C/C=C/C(=C/C=C\2/C(C=CC=C2C)(C)C)/C)/C)(C)C
Metabolite of Species Details
Marine plankton environmental sample (NCBI:txid632957) Found in endometabolome (MTBLS:000125). See: MetaboLights Study
ChEBI Ontology
Outgoing Monoanhydroescholtzxanthin (CHEBI:192223) is a xanthophyll (CHEBI:27325)
IUPAC Name
(1R,4Z)-3,5,5-trimethyl-4-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-2,4-dien-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohex-2-en-1-ol
Manual Xrefs Databases
17220871 ChemSpider
LMPR01070026 LIPID MAPS
View more database links