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canthaxanthin

Properties

Image

Occurences in reactions

MNX_ID

MNXM3938

	#reac
in my sandbox	0
in MNXref (generic)	17
in models (compartimentalized)	2

formula

C₄₀H₅₂O₂

charge

mass

564.39673

reference

chebi:3362

InChIKey

FDSDTBUPSURDBL-DKLMTRRASA-N

InChI

InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+

SMILES

CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)CCC2(C)C)C(C)(C)CCC1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3362 chebi:3362	canthaxanthin 4,4'-dioxo-beta-carotene Canthaxanthin Carophyll Red E 161g Food Orange 8 Orobronze all-trans-beta-carotene-4,4'-dione beta,beta-carotene-4,4'-dione
kegg.compound:C08583 keggC:C08583 lipidmaps:LMPR01070264 lipidmapsM:LMPR01070264	Canthaxanthin
hmdb:HMDB0003154	Canthaxanthin 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-one 4,4'-Diketo-b-carotene 4,4'-Diketo-beta-carotene 4,4'-Dioxo-b-carotene 4,4'-Dioxo-beta-carotene Cantaxanthin Cantaxanthine Canthaxanthine Carophyll red FOOD Orange 8 L-Orange 7 Orobronze Roxanthin red 10 all-trans,beta-Carotene-4,4'-dione all-trans-b-Carotene-4,4'-dione all-trans-beta-Carotene-4,4'-dione all-trans-beta-carotene-4,4'-dione beta,beta-Carotene-4,4'-dione canthaxanthin e 161g
seed.compound:cpd05490 seedM:cpd05490	Canthaxanthin beta,beta-carotene-4,4'-dione canthaxanthin
metacyc.compound:CPD-7851 metacycM:CPD-7851	canthaxanthin beta,beta-carotene-4,4'-dione
hmdb:HMDB03154 keggC:M_C08583 seedM:M_cpd05490	secondary/obsolete/fantasy identifier