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

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15,9'-di-cis-phytofluene

	Properties	Image
MNX_ID	MNXM2594
reference	chebi:61990
formula	C₄₀H₆₂
global charge	0
mol weight	542.936
InChIKey	OVSVTCFNLSGAMM-IQEMYQFOSA-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)	10
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:61990 chebi:61990 OVSVTCFNLSGAMM-IQEMYQFOSA-N	15,9'-di-cis-phytofluene (15Z,9'Z)-di-cis-phytofluene (6E,10Z,12E,14E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene (9cis,15cis)-7,7',8,8',11',12'-hexahydro-psi,psi-carotene
lipidmaps:LMPR01070411 lipidmapsM:LMPR01070411 OVSVTCFNLSGAMM-IQEMYQFOSA-N	(9Z,15Z)-Phytofluene (9Z,15Z)-7,8,11,12,7',8'-Hexahydro-psi,psi-carotene 15,9'-dicis-Phytofluene 9,15-di-cis-Phytofluene
metacyc.compound:CPD-13171 metacycM:CPD-13171 OVSVTCFNLSGAMM-IQEMYQFOSA-N	15,9'-di-cis-phytofluene
hmdb:HMDB0304024 OVSVTCFNLSGAMM-IQEMYQFOSA-N	15,9'-di-cis-phytofluene (15Z,9'z)-Di-cis-phytofluene (6E,10Z,12E,14E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene (6E,10Z,12E,14E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene
kegg.compound:C19765 keggC:C19765 OVSVTCFNLSGAMM-IQEMYQFOSA-N	15,9'-dicis-Phytofluene
seed.compound:cpd21011 seedM:cpd21011 OVSVTCFNLSGAMM-IQEMYQFOSA-N	15,9'-dicis-Phytofluene 15,9'-di-cis-phytofluene
seed.compound:cpd28894 seedM:cpd28894	15,9'-dicis-phytofluene
keggC:M_C19765 seedM:M_cpd21011 seedM:M_cpd28894	secondary/obsolete/fantasy identifier