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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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The Swiss Initiative in Systems Biology
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O-citryl-ethanolamine
Properties
Image
Occurences in reactions
MNX_ID
MNXM8952
#reac
in my sandbox
0
in MNXref (generic)
3
in models (compartimentalized)
0
formula
C
8
H
12
NO
7
charge
-1
mass
234.06193
reference
metacycM:CPD-12577
InChIKey
NUXSZBCGZWMACN-UHFFFAOYSA-M
InChI
InChI=1S/C8H13NO7/c9-1-2-16-6(12)4-8(15,7(13)14)3-5(10)11/h15H,1-4,9H2,(H,10,11)(H,13,14)/p-1
SMILES
[NH3+]CCOC(=O)CC(O)(CC(=O)[O-])C(=O)[O-]
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-12577
metacycM:CPD-12577
seed.compound:cpd23477
seedM:cpd23477
O-citryl-ethanolamine
seedM:M_cpd23477
secondary/obsolete/fantasy identifier