MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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all-trans-phytofluene

MNXM1108031 is deprecated and here replaced by MNXM1364456
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1364456
reference	chebi:28129
formula	C₄₀H₆₂
global charge	0
mol weight	542.936
InChIKey	OVSVTCFNLSGAMM-OUOOUFEBSA-N
InChI	InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11+,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
SMILES	CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C

MNX internals

InChI (mnx)	InChI=1/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11+,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
SMILES (mnx)	[CH3:1][C:33]([CH3:2])=[CH:19][CH2:13][CH2:23]/[C:37]([CH3:7])=[CH:27]/[CH2:17][CH2:31]/[C:39]([CH3:9])=[CH:29]/[CH:15]=[CH:25]/[C:35]([CH3:5])=[CH:21]/[CH:11]=[CH:12]/[CH:22]=[C:36](\[CH3:6])[CH2:26][CH2:16]/[CH:30]=[C:40](\[CH3:10])[CH2:32][CH2:18]/[CH:28]=[C:38](\[CH3:8])[CH2:24][CH2:14][CH:20]=[C:34]([CH3:3])[CH3:4]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	18
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28129 chebi:28129 lipidmaps:LMPR01070299 lipidmapsM:LMPR01070299 OVSVTCFNLSGAMM-OUOOUFEBSA-N	all-trans-phytofluene (12E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene 7,7',8,8',11,12-hexahydro-psi,psi-carotene 7,8,11,12,7',8'-hexahydro-psi,psi-carotene Phytofluene
seed.compound:cpd03206 seedM:cpd03206 OVSVTCFNLSGAMM-OUOOUFEBSA-N	Phytofluene 2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene 7,8,11,12,7',8'-hexahydro-psi,psi-carotene all-trans phytofluene all-trans-Phytofluene phytofluene
metacyc.compound:CPD-7408 metacycM:CPD-7408 OVSVTCFNLSGAMM-OUOOUFEBSA-N	all-trans phytofluene 2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene 7,8,11,12,7',8'-hexahydro-psi,psi-carotene phytofluene
kegg.compound:C05414 keggC:C05414 OVSVTCFNLSGAMM-OUOOUFEBSA-N	all-trans-Phytofluene
hmdb:HMDB0002272 OVSVTCFNLSGAMM-OUOOUFEBSA-N	all-trans-Phytofluene (12E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene (6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene (cis)-phytofluene 7,7',8,8',11,12-Hexahydro-psi,psi-carotene 7,7',8,8',11,12-Hexahydrolycopene 7,8,11,12,7',8'-hexahydro-Psi,psi-carotene Phytofluene Phytofluene, (cis)-isomer all-(E)-Phytofluene
hmdb:HMDB02272 chebi:8192 keggC:M_C05414 seedM:M_cpd03206	secondary/obsolete/fantasy identifier