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demethylspheroidene

MNXM2815 is deprecated and here replaced by MNXM1371488
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371488 Image of MNXM1371488
referencechebi:62505
formulaC40H58O
global charge0
mol weight554.903
InChIKeyIKOGZSUEGBDVQU-XZXJNJSQSA-N
InChIInChI=1S/C40H58O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-15,17-21,23-27,29-31,41H,13,16,22,28,32H2,1-10H3/b12-11+,23-14+,24-15+,29-17+,31-18+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/CC(C)(C)O
MNX internals
InChI (mnx)InChI=1/C40H58O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-15,17-21,23-27,29-31,41H,13,16,22,28,32H2,1-10H3/b12-11+,23-14+,24-15+,29-17+,31-18+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+ Image of MNXM1371488
SMILES (mnx)[CH3:1][C:33]([CH3:2])=[CH:19][CH2:13][CH2:22]/[C:36]([CH3:5])=[CH:25]/[CH2:16][CH2:28]/[C:37]([CH3:6])=[CH:26]/[CH:14]=[CH:23]/[C:34]([CH3:3])=[CH:20]/[CH:11]=[CH:12]/[CH:21]=[C:35]([CH3:4])/[CH:24]=[CH:15]/[CH:27]=[C:38]([CH3:7])/[CH:29]=[CH:17]/[CH:30]=[C:39]([CH3:8])/[CH:31]=[CH:18]/[CH2:32][C:40]([CH3:9])([CH3:10])[OH:41]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:62505
chebi:62505
IKOGZSUEGBDVQU-XZXJNJSQSA-N 		demethylspheroidene
(3E)-3,4-didehydro-1,2,7',8'-tetrahydro-psi,psi-caroten-1-ol
(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,26,30-dodecaen-2-ol

sabiork.compound:31987
sabiorkM:31987
kegg.compound:C15898
keggC:C15898
vmhM:dmspdn
vmhmetabolite:dmspdn
IKOGZSUEGBDVQU-XZXJNJSQSA-N 		Demethylspheroidene

lipidmaps:LMPR01070120
lipidmapsM:LMPR01070120
IKOGZSUEGBDVQU-XZXJNJSQSA-N 		Demethylspheroidene
3,4-Didehydro-1,2,7',8'-tetrahydro-psi,psi-carotene-1-ol
Demethylated spheroidene

seed.compound:cpd14628
seedM:cpd14628
IKOGZSUEGBDVQU-XZXJNJSQSA-N 		Demethylspheroidene
demethylspheroidene

keggC:M_C15898
seedM:M_cpd14628
vmhM:M_dmspdn 		secondary/obsolete/fantasy identifier