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

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H4atta

	Properties	Image
MNX_ID	MNXM156488
reference	chebi:33024
formula	C₃₉H₃₃N₅O₈
global charge	0
mol weight	699.72
InChIKey	OOFLZRMKTMLSMH-UHFFFAOYSA-N
InChI	InChI=1S/C39H33N5O8/c45-35(46)20-43(21-36(47)48)18-27-9-5-13-31(40-27)33-16-26(39-29-11-3-1-7-24(29)15-25-8-2-4-12-30(25)39)17-34(42-33)32-14-6-10-28(41-32)19-44(22-37(49)50)23-38(51)52/h1-17H,18-23H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)
SMILES	O=C(O)CN(CC(=O)O)CC1=CC=CC(C2=CC(C3=C4C=CC=CC4=CC4=CC=CC=C43)=CC(C3=CC=CC(CN(CC(=O)O)CC(=O)O)=N3)=N2)=N1

MNX internals

InChI (mnx)	InChI=1/C39H33N5O8/c45-35(46)20-43(21-36(47)48)18-27-9-5-13-31(40-27)33-16-26(39-29-11-3-1-7-24(29)15-25-8-2-4-12-30(25)39)17-34(42-33)32-14-6-10-28(41-32)19-44(22-37(49)50)23-38(51)52/h1-17H,18-23H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)
SMILES (mnx)	[CH:1]1=[CH:3][CH:11]=[C:29]2[C:24](=[CH:7]1)[CH:15]=[C:25]1[CH:8]=[CH:2][CH:4]=[CH:12][C:30]1=[C:39]2[C:26]1=[CH:16][C:33]([C:31]2=[CH:13][CH:5]=[CH:9][C:27]([CH2:18][N:43]([CH2:20][C:35](=[O:45])[OH:46])[CH2:21][C:36](=[O:47])[OH:48])=[N:40]2)=[N:42][C:34]([C:32]2=[CH:14][CH:6]=[CH:10][C:28]([CH2:19][N:44]([CH2:22][C:37](=[O:49])[OH:50])[CH2:23][C:38](=[O:51])[OH:52])=[N:41]2)=[CH:17]1

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
CHEBI:33024 chebi:33024 OOFLZRMKTMLSMH-UHFFFAOYSA-N	H4atta 2,2',2'',2'''-[(4'-anthracen-9-yl-2,2':6',2''-terpyridine-6,6''-diyl)bis(methylenenitrilo)]tetraacetic acid 2,2',2'',2'''-{[4'-(9-anthryl)-2,2':6',2''-terpyridine-6,6''-diyl]bis(methylenenitrilo)}tetraacetic acid ATTA [4'-(9-anthryl)-2,2':6',2''-terpyridine-6,6''-diyl]bis(methylenenitrilo)tetrakis(acetic acid)
CHEBI:33027 chebi:33027 OOFLZRMKTMLSMH-UHFFFAOYSA-J	atta(4-) 2,2',2'',2'''-[(4'-anthracen-9-yl-2,2':6',2''-terpyridine-6,6''-diyl)bis(methylenenitrilo)]tetraacetate 2,2',2'',2'''-{[4'-(9-anthryl)-2,2':6',2''-terpyridine-6,6''-diyl]bis(methylenenitrilo)}tetraacetate