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

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dihydroclavaminate

	Properties	Image
MNX_ID	MNXM1739
reference	chebi:57301
formula	C₈H₁₂N₂O₄
global charge	0
mol weight	200.194
InChIKey	BONQGFBLZGPXMG-PIYBLCFFSA-N
InChI	InChI=1S/C8H12N2O4/c9-2-1-4-7(8(12)13)10-5(11)3-6(10)14-4/h4,6-7H,1-3,9H2,(H,12,13)/t4-,6+,7+/m1/s1
SMILES	[NH3+]CC[C@H]1O[C@H]2CC(=O)N2[C@@H]1C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C8H12N2O4/c9-2-1-4-7(8(12)13)10-5(11)3-6(10)14-4/h4,6-7H,1-3,9H2,(H,12,13)/t4-,6+,7+/m1/s1
SMILES (mnx)	[CH2:1]([CH2:2][NH2:9])[C@@H:4]1[C@@H:7]([C:8](=[O:12])[OH:13])[N:10]2[C:5](=[O:11])[CH2:3][C@@H:6]2[O:14]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57301 chebi:57301 BONQGFBLZGPXMG-PIYBLCFFSA-N	dihydroclavaminate (2S,3R,5S)-3-(2-azaniumylethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate dihydroclavaminic acid zwitterion
vmhM:dhcmnt vmhmetabolite:dhcmnt BONQGFBLZGPXMG-PIYBLCFFSA-N	Dihydroclavaminate
seed.compound:cpd04062 seedM:cpd04062 BONQGFBLZGPXMG-PIYBLCFFSA-N	Dihydroclavaminate Dihydroclavaminic acid dihydroclavaminate
kegg.compound:C06659 keggC:C06659 BONQGFBLZGPXMG-PIYBLCFFSA-N	Dihydroclavaminic acid Dihydroclavaminate
metacyc.compound:DIHYDROCLAVAMINATE metacycM:DIHYDROCLAVAMINATE BONQGFBLZGPXMG-PIYBLCFFSA-N	dihydroclavaminate
CHEBI:15424 chebi:15424 BONQGFBLZGPXMG-PIYBLCFFSA-N	dihydroclavaminic acid (2S,3R,5S)-3-(2-aminoethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Dihydroclavaminate Dihydroclavaminic acid
chebi:12884 chebi:14146 chebi:4558 keggC:M_C06659 seedM:M_cpd04062 vmhM:M_dhcmnt	secondary/obsolete/fantasy identifier