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echinenone

PropertiesImage
MNX_IDMNXM3591 Image of MNXM3591
referencechebi:4746
formulaC40H54O
global charge0
mol weight550.871
InChIKeyQXNWZXMBUKUYMD-QQGJMDNJSA-N
InChIInChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+
SMILESCC1=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
MNX internals
InChI (mnx)InChI=1/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+ Image of MNXM3591
SMILES (mnx)[CH3:1][C:30](=[CH:16]\[CH:11]=[CH:12]\[CH:17]=[C:31]([CH3:2])\[CH:19]=[CH:14]\[CH:21]=[C:33]([CH3:4])\[CH:24]=[CH:26]\[C:37]1=[C:35]([CH3:6])[C:38](=[O:41])[CH2:27][CH2:29][C:40]1([CH3:9])[CH3:10])/[CH:18]=[CH:13]/[CH:20]=[C:32]([CH3:3])/[CH:23]=[CH:25]/[C:36]1=[C:34]([CH3:5])[CH2:22][CH2:15][CH2:28][C:39]1([CH3:7])[CH3:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)30
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:4746
chebi:4746
QXNWZXMBUKUYMD-QQGJMDNJSA-N 		echinenone
4-keto-beta-carotene
4-oxo-beta-carotene
Echinenone
aphanin
beta,beta-caroten-4-one
myoxanthin

bigg.metabolite:echin
biggM:echin 		Echinenone

lipidmaps:LMPR01070060
lipidmapsM:LMPR01070060
QXNWZXMBUKUYMD-QQGJMDNJSA-N 		Echinenone
Myxoxanthin
Myxoxanthine
beta,beta-Caroten-4-one
beta-Carotene-4-one
beta-Echinenone

kegg.compound:C08592
keggC:C08592
QXNWZXMBUKUYMD-QQGJMDNJSA-N 		Echinenone
beta,beta-Caroten-4-one

seed.compound:cpd05499
seedM:cpd05499
QXNWZXMBUKUYMD-QQGJMDNJSA-N 		Echinenone
echinenone

metacyc.compound:CPD-7850
metacycM:CPD-7850
QXNWZXMBUKUYMD-QQGJMDNJSA-N 		echinenone

biggM:M_echin
keggC:M_C08592
seedM:M_cpd05499 		secondary/obsolete/fantasy identifier