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isopentenyldehydrorhodopin

PropertiesImage
MNX_IDMNXM149087 Image of MNXM149087
referencechebi:87162
formulaC45H64O
global charge0
mol weight621.006
InChIKeyKMABSCJZIWNFFA-MBGUUZMHSA-N
InChIInChI=1S/C45H64O/c1-36(2)20-15-23-40(7)26-18-29-41(8)27-16-24-38(5)21-13-14-22-39(6)25-17-28-42(9)30-19-31-43(10)33-35-44(45(11,12)46)34-32-37(3)4/h13-14,16-22,24-33,35,44,46H,15,23,34H2,1-12H3/b14-13+,24-16+,25-17+,29-18+,30-19+,35-33+,38-21+,39-22+,40-26+,41-27+,42-28+,43-31+/t44-/m0/s1
SMILESCC(C)=CCC/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/C=C(C)/C=C/[C@H](CC=C(C)C)C(C)(C)O
MNX internals
InChI (mnx)InChI=1/C45H64O/c1-36(2)20-15-23-40(7)26-18-29-41(8)27-16-24-38(5)21-13-14-22-39(6)25-17-28-42(9)30-19-31-43(10)33-35-44(45(11,12)46)34-32-37(3)4/h13-14,16-22,24-33,35,44,46H,15,23,34H2,1-12H3/b14-13+,24-16+,25-17+,29-18+,30-19+,35-33+,38-21+,39-22+,40-26+,41-27+,42-28+,43-31+/t44-/m0/s1 Image of MNXM149087
SMILES (mnx)[CH3:1][C:36]([CH3:2])=[CH:20][CH2:15][CH2:23]/[C:40]([CH3:7])=[CH:26]/[CH:18]=[CH:29]/[C:41]([CH3:8])=[CH:27]/[CH:16]=[CH:24]/[C:38]([CH3:5])=[CH:21]/[CH:13]=[CH:14]/[CH:22]=[C:39]([CH3:6])/[CH:25]=[CH:17]/[CH:28]=[C:42]([CH3:9])/[CH:30]=[CH:19]/[CH:31]=[C:43]([CH3:10])/[CH:33]=[CH:35]/[C@H:44]([CH2:34][CH:32]=[C:37]([CH3:3])[CH3:4])[C:45]([CH3:11])([CH3:12])[OH:46]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:87162
chebi:87162
KMABSCJZIWNFFA-MBGUUZMHSA-N 		isopentenyldehydrorhodopin
(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyl-3-(3-methylbut-2-en-1-yl)dotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-2-ol

seed.compound:cpd33891
seedM:cpd33891
KMABSCJZIWNFFA-MBGUUZMHSA-N 		2-(3-methylbut-2-enyl)-3,4-didehydro-1,2-dihydro-psi,psi-caroten-1-ol
isopentenyldehydrorhodopin

lipidmaps:LMPR01080010
lipidmapsM:LMPR01080010
KMABSCJZIWNFFA-MBGUUZMHSA-N 		2-Isopentenyl-3,4-dehydrorhodopin
(2S)-2-(3-Methylbut-2-enyl)-3,4-didehydro-1,2-dihydro-psi,psi-caroten-1-ol
Isopentenyldehydrorhodopin

kegg.compound:C22059
keggC:C22059
KMABSCJZIWNFFA-MBGUUZMHSA-N 		Isopentenyldehydrorhodopin

metacyc.compound:CPD-18006
metacycM:CPD-18006
KMABSCJZIWNFFA-MBGUUZMHSA-N 		isopentenyldehydrorhodopin
2-(3-methylbut-2-enyl)-3,4-didehydro-1,2-dihydro-psi,psi-caroten-1-ol
C.p.482

keggC:M_C22059
seedM:M_cpd33891 		secondary/obsolete/fantasy identifier