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all-trans-capsorubin

PropertiesImage
MNX_IDMNXM3556 Image of MNXM3556
referencechebi:3378
formulaC40H56O4
global charge0
mol weight600.884
InChIKeyGVOIABOMXKDDGU-YUURSNASSA-N
InChIInChI=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
SMILESCC(/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
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM3556
SMILES (mnx)[CH3:1][C:29](=[CH:15]\[CH:11]=[CH:12]\[CH:16]=[C:30]([CH3:2])\[CH:18]=[CH:14]\[CH:20]=[C:32]([CH3:4])\[CH:22]=[CH:24]\[C:36]([C@:40]1([CH3:10])[CH2:28][C@@H:34]([OH:42])[CH2:26][C:38]1([CH3:7])[CH3:8])=[O:44])/[CH:17]=[CH:13]/[CH:19]=[C:31]([CH3:3])/[CH:21]=[CH:23]/[C:35]([C@:39]1([CH3:9])[CH2:27][C@@H:33]([OH:41])[CH2:25][C:37]1([CH3:5])[CH3:6])=[O:43]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:3378
chebi:3378
GVOIABOMXKDDGU-YUURSNASSA-N 		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
GVOIABOMXKDDGU-YUURSNASSA-N 		Capsorubin
hmdb:HMDB0036924
GVOIABOMXKDDGU-YUURSNASSA-N 		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)

lipidmaps:LMPR01070048
lipidmapsM:LMPR01070048
GVOIABOMXKDDGU-YUURSNASSA-N 		Capsorubin
(3S,5R,3'S,5'R)-3,3'-Dihydroxy-kappa,kappa-carotene-6,6'-dione

seed.compound:cpd05492
seedM:cpd05492
GVOIABOMXKDDGU-YUURSNASSA-N 		Capsorubin
capsorubin

SLM:000501416
slm:000501416
GVOIABOMXKDDGU-YUURSNASSA-N 		all-trans-capsorubin

metacyc.compound:CAPSORUBIN
metacycM:CAPSORUBIN
GVOIABOMXKDDGU-YUURSNASSA-N 		capsorubin

hmdb:HMDB36924
keggC:M_C08585
seedM:M_cpd05492 		secondary/obsolete/fantasy identifier