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

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corrole

	Properties	Image
MNX_ID	MNXM47682
reference	chebi:33222
formula	C₁₉H₁₄N₄
global charge	0
mol weight	298.349
InChIKey	LYNARWYQOUZXDY-MXCYJBDUSA-N
InChI	InChI=1S/C19H14N4/c1-3-14-10-16-5-7-18(22-16)19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14/h1-11,20-22H/b12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,19-18-
SMILES	C1=C/C2=C3\C=C/C(=C/C4=CC=C(/C=C5/C=C/C(=C/C1=N2)N5)N4)N3

MNX internals

InChI (mnx)	InChI=1/C19H14N4/c1-3-14-10-16-5-7-18(22-16)19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14/h1-11,20-22H/b12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,19-18-
SMILES (mnx)	[CH:1]1=[CH:3]\[C:14]2=[CH:10]\[C:16]3=[CH:5][CH:7]=[C:18]([C:19]4=[N:23]/[C:17](=[CH:11]\[C:15]5=[CH:4][CH:2]=[C:13](/[CH:9]=[C:12]/1[NH:20]2)[NH:21]5)[CH:6]=[CH:8]4)[NH:22]3

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-26421 metacycM:CPD-26421 CHEBI:33222 chebi:33222 LYNARWYQOUZXDY-MXCYJBDUSA-N	corrole octadehydrocorrin
hmdb:HMDB0250458 LYNARWYQOUZXDY-MXCYJBDUSA-N	Corrole 20,21,22,23-tetraazapentacyclo[15.2.1.1^{2,5}.1^{7,10}.1^{12,15}]tricosa-1(20),2,4,6,8,10,12,14,16,18-decaene