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

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dibenzo[a,l]pyrene

	Properties	Image
MNX_ID	MNXM50427
reference	chebi:35861
formula	C₂₄H₁₄
global charge	0
mol weight	302.376
InChIKey	JNTHRSHGARDABO-UHFFFAOYSA-N
InChI	InChI=1S/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H
SMILES	C1=CC=C2C(=C1)C1=C3C(=CC=C1)C=CC1=C3C2=C2C=CC=CC2=C1

MNX internals

InChI (mnx)	InChI=1/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H
SMILES (mnx)	[CH:1]1=[CH:2][CH:8]=[C:18]2[C:16](=[CH:6]1)[CH:14]=[C:17]1[CH:13]=[CH:12][C:15]3=[CH:7][CH:5]=[CH:11][C:20]4=[C:19]5[CH:9]=[CH:3][CH:4]=[CH:10][C:21]5=[C:24]2[C:23]1=[C:22]34

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:35861 chebi:35861 JNTHRSHGARDABO-UHFFFAOYSA-N	dibenzo[a,l]pyrene 1,2,3,4-Dibenzpyrene 1,2,9,10-Dibenzopyrene 1,2:3,4-Dibenzopyrene 1,2:9,10-Dibenzopyrene 2,3:4,5-Dibenzopyrene 4,5,6,7-Dibenzpyrene DBP Db(a,l)p Dibenzo(d,e,f,p)chrysene Dibenzo[def,p]chrysene naphtho[1,2,3,4-pqr]tetraphene
bigg.metabolite:CN0016 biggM:CN0016 JNTHRSHGARDABO-UHFFFAOYSA-N	Dibenzo[a,l]pyrene
hmdb:HMDB0060116 JNTHRSHGARDABO-UHFFFAOYSA-N	Dibenzo[a,l]pyrene 1,2,3,4-Dibenzopyrene 1,2,3,4-Dibenzpyrene 1,2,9,10-Dibenzopyrene 1,2:3,4-Dibenzopyrene 1,2:9,10-Dibenzopyrene 2,3:4,5-Dibenzopyrene 4,5,6,7-Dibenzpyrene DB(a,L)p DBP DIBENZO[a,l]PYRENE Dibenzo(D,e,F,p)chrysene Dibenzo(a,L)pyrene Dibenzo(def,p)chrysene Dibenzo[def,p]chrysene hexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁷,²²]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene
seed.compound:cpd20432 seedM:cpd20432 kegg.compound:C19174 keggC:C19174 JNTHRSHGARDABO-UHFFFAOYSA-N	Dibenzo[a,l]pyrene 1,2,9,10-Dibenzopyrene Dibenzo[def,p]chrysene
vmhM:CN0016 vmhmetabolite:CN0016 JNTHRSHGARDABO-UHFFFAOYSA-N	Dibenzo[a,l]pyrene hexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁷,²²]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene
hmdb:HMDB60116 biggM:M_CN0016 keggC:M_C19174 seedM:M_cpd20432 vmhM:M_CN0016	secondary/obsolete/fantasy identifier