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

Feedback

allantoate

	Properties	Image
MNX_ID	MNXM584
reference	chebi:17536
formula	C₄H₇N₄O₄
global charge	-1
mol weight	175.124
InChIKey	NUCLJNSWZCHRKL-UHFFFAOYSA-M
InChI	InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)/p-1
SMILES	NC(=O)NC(NC(N)=O)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)
SMILES (mnx)	[CH:1]([C:2](=[O:9])[OH:10])([NH:7][C:3](=[NH:5])[OH:11])[NH:8][C:4](=[NH:6])[OH:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	9

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17536 chebi:17536 NUCLJNSWZCHRKL-UHFFFAOYSA-M	allantoate 2,2-bis(aminocarbonylamino)ethanoate allantoate ion bis(carbamoylamino)acetate bis[(aminocarbonyl)amino]acetate diureidoacetate
bigg.metabolite:alltt biggM:alltt NUCLJNSWZCHRKL-UHFFFAOYSA-M	Allantoate
sabiork.compound:1873 sabiorkM:1873 kegg.compound:C00499 keggC:C00499 NUCLJNSWZCHRKL-UHFFFAOYSA-N	Allantoate Allantoic acid
seed.compound:cpd00388 seedM:cpd00388 NUCLJNSWZCHRKL-UHFFFAOYSA-M	Allantoate Allantoic acid acetic acid, bis((aminocarbonyl)amino)- allantoate allantoic acid alltt
hmdb:HMDB0001209 NUCLJNSWZCHRKL-UHFFFAOYSA-N	Allantoic acid 2,2-bis(carbamoylamino)acetic acid Allantoate Allantoic acid, monosodium salt Bis[(aminocarbonyl)amino]acetate Bis[(aminocarbonyl)amino]acetic acid Diureidoacetate Diureidoacetic acid allantoic acid
vmhM:alltt vmhmetabolite:alltt NUCLJNSWZCHRKL-UHFFFAOYSA-M	allantoate 2,2-bis(carbamoylamino)acetic acid
metacyc.compound:ALLANTOATE metacycM:ALLANTOATE NUCLJNSWZCHRKL-UHFFFAOYSA-M	allantoate acetic acid, bis((aminocarbonyl)amino)- allantoic acid
CHEBI:30837 chebi:30837 NUCLJNSWZCHRKL-UHFFFAOYSA-N	allantoic acid Allantoic acid bis(carbamoylamino)acetic acid bis[(aminocarbonyl)amino]acetic acid diureidoacetic acid
hmdb:HMDB01209 chebi:13760 chebi:22352 chebi:22353 chebi:2593 chebi:39599 biggM:M_alltt keggC:M_C00499 seedM:M_cpd00388 vmhM:M_alltt	secondary/obsolete/fantasy identifier