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9-cis-beta-carotene

MNXM614 is deprecated and here replaced by MNXM1108249
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1108249 Image of MNXM1108249
referencechebi:67188
formulaC40H56
global charge0
mol weight536.888
InChIKeyOENHQHLEOONYIE-BVZAMQQESA-N
InChIInChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21-,34-22+
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)CCCC2(C)C)C(C)(C)CCC1
MNX internals
InChI (mnx)InChI=1/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21-,34-22+ Image of MNXM1108249
SMILES (mnx)[CH3:1][C:31](=[CH:17]\[CH:11]=[CH:12]\[CH:18]=[C:32]([CH3:2])\[CH:20]=[CH:14]\[CH:22]=[C:34]([CH3:4])\[CH:26]=[CH:28]\[C:38]1=[C:36]([CH3:6])[CH2:24][CH2:16][CH2:30][C:40]1([CH3:9])[CH3:10])/[CH:19]=[CH:13]/[CH:21]=[C:33]([CH3:3])\[CH:25]=[CH:27]\[C:37]1=[C:35]([CH3:5])[CH2:23][CH2:15][CH2:29][C:39]1([CH3:7])[CH3:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:67188
chebi:67188
OENHQHLEOONYIE-BVZAMQQESA-N 		9-cis-beta-carotene
(9Z)-beta-carotene
9-cis-beta,beta-carotene
neo-beta-carotene U

lipidmaps:LMPR01070624
lipidmapsM:LMPR01070624
OENHQHLEOONYIE-BVZAMQQESA-N 		(9Z)-beta-Carotene
(9Z)-beta,beta-Carotene

kegg.compound:C20484
keggC:C20484
OENHQHLEOONYIE-BVZAMQQESA-N 		9-cis-beta-Carotene
hmdb:HMDB0112264
OENHQHLEOONYIE-BVZAMQQESA-N 		9-cis-beta-Carotene
(9Z)-beta,beta-Carotene
(9Z)-beta-Carotene
1,3,3-trimethyl-2-[(1E,3Z,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-1-ene
9-cis-b-Carotene
9-cis-beta,beta-Carotene

metacyc.compound:CPD-14646
metacycM:CPD-14646
OENHQHLEOONYIE-BVZAMQQESA-N 		9-cis-beta-carotene

seed.compound:cpd30771
seedM:cpd30771
OENHQHLEOONYIE-BVZAMQQESA-N 		9-cis-beta-carotene
9-cis-beta-Carotene

hmdb:HMDB0002935
hmdb:HMDB02935
keggC:M_C20484
seedM:M_cpd30771 		secondary/obsolete/fantasy identifier