CHEBI:3378 - capsorubin

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ChEBI Name capsorubin
ChEBI ID CHEBI:3378
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C40H56O4
Net Charge 0
Average Mass 600.87024
Monoisotopic Mass 600.41786
InChI InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,39-,40-/m0/s1
InChIKey GVOIABOMXKDDGU-YUURSNASSA-N
SMILES CC(\C=C\C=C(C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(C)C
ChEBI Ontology
Outgoing capsorubin (CHEBI:3378) is a carotenone (CHEBI:35310)
IUPAC Name
(3S,3'S,5R,5'R)-3,3'-dihydroxy-κ,κ-carotene-6,6'-dione
Synonyms Sources
(3S,5R,3'S,5'R)-3,3'-dihydroxy-κ,κ-carotene-6,6'-dione CBN
all-trans-capsorubin UniProt
Capsorubin KEGG COMPOUND
Manual Xrefs Databases
C00003764 KNApSAcK
C08585 KEGG COMPOUND
LMPR01070048 LIPID MAPS
View more database links
Registry Numbers Types Sources
2494276 Beilstein Registry Number Beilstein
470-38-2 CAS Registry Number KEGG COMPOUND
470-38-2 CAS Registry Number ChemIDplus
Last Modified
28 July 2014