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

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all-trans-phytoene

	Properties	Image
MNX_ID	MNXM1370263
reference	chebi:8191
formula	C₄₀H₆₄
global charge	0
mol weight	544.952
InChIKey	YVLPJIGOMTXXLP-KEKOKYSKSA-N
InChI	InChI=1S/C40H64/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/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
SMILES	CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/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/C40H64/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/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,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]/[CH2:15][CH2:25]/[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)	23
in models (compartimentalized)	7

Similar chemical compounds in external resources
Identifier	Description
CHEBI:8191 chebi:8191 YVLPJIGOMTXXLP-KEKOKYSKSA-N	all-trans-phytoene (6E,10E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene 7,7',8,8',11,11',12,12'-octahydro-psi,psi-carotene 7,8,11,12,7',8',11',12'-octahydro-psi,psi-carotene Phytoene
bigg.metabolite:phyto biggM:phyto bigg.metabolite:phytoe biggM:phytoe YVLPJIGOMTXXLP-KEKOKYSKSA-N	All-trans-Phytoene
sabiork.compound:7890 sabiorkM:7890 lipidmaps:LMPR01070254 lipidmapsM:LMPR01070254 YVLPJIGOMTXXLP-KEKOKYSKSA-N	Phytoene
hmdb:HMDB0002181 YVLPJIGOMTXXLP-KEKOKYSKSA-N	Phytoene (6E,10E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene (6E,10E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene (all-e) Phytoene (all-e)-Phytoene 7,7',8,8',11,11',12,12'-Octahydro-psi,psi-carotene 7,7',8,8',11,11',12,12'-octahydro-psi,psi-carotene all-trans-7,7',8,8',11,11',12,12'-Octahydro-lycopene all-trans-Phytoene phytoene trans-Phytoene
vmhM:phytn vmhmetabolite:phytn YVLPJIGOMTXXLP-KEKOKYSKSA-N	Phytoene (6E,10E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene
seed.compound:cpd03205 seedM:cpd03205 YVLPJIGOMTXXLP-KEKOKYSKSA-N	Phytoene 7,7',8,8',11,11',12,12'-octahydro-psi,psi-caro all-trans-Phytoene all-trans-phytoene
kegg.compound:C05413 keggC:C05413 YVLPJIGOMTXXLP-KEKOKYSKSA-N	all-trans-Phytoene
metacyc.compound:PHYTOENE metacycM:PHYTOENE YVLPJIGOMTXXLP-KEKOKYSKSA-N	all-trans-phytoene 7,7',8,8',11,11',12,12'-octahydro-psi,psi-caro
envipath:...3a4dbdc2339f envipathM:...3a4dbdc2339f envipath:...75fe1b5fc93e envipathM:...75fe1b5fc93e envipath:...1592f2999345 envipathM:...1592f2999345 YVLPJIGOMTXXLP-KEKOKYSKSA-N	compound 0052861
hmdb:HMDB0011186 hmdb:HMDB02181 hmdb:HMDB11186 biggM:M_phyto biggM:M_phytoe keggC:M_C05413 seedM:M_cpd03205 vmhM:M_phytn	secondary/obsolete/fantasy identifier