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all-trans-capsorubin

Properties

Image

Occurences in reactions

MNX_ID

MNXM3556

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

formula

C₄₀H₅₆O₄

charge

mass

600.41786

reference

chebi:3378

InChIKey

GVOIABOMXKDDGU-YUURSNASSA-N

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

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3378 chebi:3378	all-trans-capsorubin (3S,3'S,5R,5'R)-3,3'-dihydroxy-kappa,kappa-carotene-6,6'-dione (3S,5R,3'S,5'R)-3,3'-dihydroxy-kappa,kappa-carotene-6,6'-dione Capsorubin capsorubin
kegg.compound:C08585 keggC:C08585 lipidmaps:LMPR01070048 lipidmapsM:LMPR01070048	Capsorubin
hmdb:HMDB0036924	Capsorubin (2E,4E,6E,8E,10E,12E,14E,16E,18E)-1,20-bis[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaene-1,20-dione (3S,5R,3's,5'r)-3,3'-Dihydroxy-kappa,kappa-carotene-6,6'-dione 3,3'-Dihydroxy-K,K-carotene-6,6'-dione 3,3'-Dihyroxy-kappa,kappa-carotene-6,6'-dione all-trans-Capsorubin capsorubin e160 (Capsorubin)
seed.compound:cpd05492 seedM:cpd05492	Capsorubin capsorubin
metacyc.compound:CAPSORUBIN metacycM:CAPSORUBIN	capsorubin
hmdb:HMDB36924 keggC:M_C08585 seedM:M_cpd05492	secondary/obsolete/fantasy identifier