CHEBI:191295 - Decaprenoxanthin

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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 Decaprenoxanthin
ChEBI ID CHEBI:191295
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C50H72O2
Net Charge 0
Average Mass 705.124
Monoisotopic Mass 704.55323
InChI InChI=1S/C50H72O2/c1-37(19-15-21-39(3)25-33-47-43(7)27-31-45(49(47,9)10)29-23-41(5)35-51)17-13-14-18-38(2)20-16-22-40(4)26-34-48-44(8)28-32-46(50(48,11)12)30-24-42(6)36-52/h13-28,33-34,45-48,51-52H,29-32,35-36H2,1-12H3/b14-13+,19-15+,20-16+,33-25+,34-26+,37-17+,38-18+,39-21+,40-22+,41-23+,42-24+/t45-,46-,47+,48+/m0/s1
InChIKey FMUTWECJHLYSSS-XUYZKQIISA-N
SMILES OC\C(=C\C[C@@H]1C([C@@H](C(=CC1)C)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(\C=C\C=C(\C=C\[C@H]2C([C@H](CC=C2C)C/C=C(/CO)\C)(C)C)/C)/C)(C)C)\C
Metabolite of Species Details
Arthrobacterspecies m3 (NCBI:txid380091) See: DOI
Homo sapiens (NCBI:txid9606) Found in hTERT-RPE1 cell (BTO:0004790). See: MetaboLights Study
ChEBI Ontology
Outgoing Decaprenoxanthin (CHEBI:191295) is a xanthophyll (CHEBI:27325)
IUPAC Names
(E)-4-[(1R,5R)-5-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,5R)-5-[(E)-4-hydroxy-3-methylbut-2-enyl]-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-4,6,6-trimethylcyclohex-3-en-1-yl]-2-methylbut-2-en-1-ol
(E)-4-[5-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[5-[(E)-4-hydroxy-3-methylbut-2-enyl]-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-4,6,6-trimethylcyclohex-3-en-1-yl]-2-methylbut-2-en-1-ol
Manual Xrefs Databases
4947336 ChemSpider
78444512 ChemSpider
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Registry Number Type Source
28368-06-1 CAS Registry Number ChemIDplus