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

**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

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all-trans-3,4-didehydrolycopene

	Properties	Image
MNX_ID	MNXM2500
reference	chebi:62474
formula	C₄₀H₅₄
global charge	0
mol weight	534.872
InChIKey	OCMSUPSDVXKDFY-FQMRBFJQSA-N
InChI	InChI=1S/C40H54/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/h11-13,15-23,25-32H,14,24H2,1-10H3/b12-11+,23-13+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
SMILES	CC(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(\C)CCC=C(C)C

MNX internals

InChI (mnx)	InChI=1/C40H54/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/h11-13,15-23,25-32H,14,24H2,1-10H3/b12-11+,23-13+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
SMILES (mnx)	[C:1](/[CH:2]=[CH:5]/[CH:7]=[C:9](/[CH2:11][CH2:15]/[CH:17]=[C:19](\[CH3:21])[CH3:22])[CH3:12])(=[CH:3]\[CH:6]=[CH:8]/[C:10](=[CH:13]\[CH:16]=[CH:18]/[CH:20]=[C:23](/[CH:24]=[CH:26]\[CH:27]=[C:28](\[CH:29]=[CH:31]/[CH:32]=[C:33](\[CH:34]=[CH:36]/[CH:37]=[C:38](/[CH3:39])[CH3:40])[CH3:35])[CH3:30])[CH3:25])[CH3:14])[CH3:4]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62474 chebi:62474 OCMSUPSDVXKDFY-FQMRBFJQSA-N	all-trans-3,4-didehydrolycopene (3E)-3,4-didehydro-psi,psi-carotene (4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,30-tetradecaene (all-E)-3,4-didehydrolycopene 3,4-Didehydrolycopene 3,4-dehydrolycopene
lipidmaps:LMPR01070087 lipidmapsM:LMPR01070087 OCMSUPSDVXKDFY-FQMRBFJQSA-N	3,4-Dehydrolycopene 3,4-Didehydro-psi,psi-carotene 3,4-Didehydrolycopene
seed.compound:cpd14598 seedM:cpd14598 OCMSUPSDVXKDFY-FQMRBFJQSA-N	3,4-Dehydrolycopene 3,4-Didehydrolycopene 3,4-dehydrolycopene 3,4-didehydrolycopene all-trans-3,4-Didehydrolycopene all-trans-3,4-didehydrolycopene
kegg.compound:C15867 keggC:C15867 OCMSUPSDVXKDFY-FQMRBFJQSA-N	3,4-Dehydrolycopene all-trans-3,4-Didehydrolycopene
hmdb:HMDB0304262 OCMSUPSDVXKDFY-FQMRBFJQSA-N	all-trans-3,4-didehydrolycopene (4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,30-tetradecaene (4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,30-tetradecaene (all-e)-3,4-Didehydrolycopene 3,4-Dehydrolycopene 3,4-Didehydrolycopene 3,4-didehydrolycopene
metacyc.compound:CPD-12932 metacycM:CPD-12932 OCMSUPSDVXKDFY-FQMRBFJQSA-N	all-trans-3,4-didehydrolycopene 3,4-dehydrolycopene 3,4-didehydrolycopene
keggC:M_C15867 seedM:M_cpd14598	secondary/obsolete/fantasy identifier