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

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(3E,5R)-5-carboxy-2-oxohept-3-enedioate

MNXM162386 is deprecated and here replaced by MNXM730306
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM730306
reference	chebi:87491
formula	C₈H₅O₇
global charge	-3
mol weight	213.121
InChIKey	WHGVLEMQINVDLH-QPHDTYRISA-K
InChI	InChI=1S/C8H8O7/c9-5(8(14)15)2-1-4(7(12)13)3-6(10)11/h1-2,4H,3H2,(H,10,11)(H,12,13)(H,14,15)/p-3/b2-1+/t4-/m0/s1
SMILES	O=C([O-])C[C@H](/C=C/C(=O)C(=O)[O-])C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C8H8O7/c9-5(8(14)15)2-1-4(7(12)13)3-6(10)11/h1-2,4H,3H2,(H,10,11)(H,12,13)(H,14,15)/b2-1+/t4-/m0/s1
SMILES (mnx)	[CH:1](=[CH:2]/[C:5]([C:8]([OH:14])=[O:15])=[O:9])\[C@@H:4]([CH2:3][C:6](=[O:10])[OH:11])[C:7](=[O:12])[OH:13]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:87491 chebi:87491 WHGVLEMQINVDLH-QPHDTYRISA-K	(3E,5R)-5-carboxy-2-oxohept-3-enedioate (2R,3E)-5-oxopent-3-ene-1,2,5-tricarboxylate (3E,5R)-2-oxo-5-(carboxymethyl)-3-hexenedioate
CHEBI:87509 chebi:87509 WHGVLEMQINVDLH-QPHDTYRISA-N	(2R,3E)-5-oxopent-3-ene-1,2,5-tricarboxylic acid
SLM:000485660 slm:000485660 WHGVLEMQINVDLH-QPHDTYRISA-K	(3E,5R)-5-carboxy-2-oxohept-3-enedioate
metacyc.compound:CPD-785 metacycM:CPD-785 WHGVLEMQINVDLH-QPHDTYRISA-K	(3E,5R)-5-carboxy-2-oxohept-3-enedioate 1-oxopent-3-ene-1,4,5-tricarboxylate 5-carboxy-2-oxohex-3-ene-1,6-dioate 5-oxopent-3-ene-1,2,5-tricarboxylate OPET
seed.compound:cpd02507 seedM:cpd02507 WHGVLEMQINVDLH-QPHDTYRISA-K	5-Carboxy-2-oxohept-3-enedioate (3E,5R)-5-carboxy-2-oxohept-3-enedioate 1-oxopent-3-ene-1,4,5-tricarboxylate 5-Oxopent-3-ene-1,2,5-tricarboxylate 5-carboxy-2-oxohept-3-enedioate 5-carboxy-2-oxohex-3-ene-1,6-dioate 5-oxopent-3-ene-1,2,5-tricarboxylate OPET
seedM:M_cpd02507	secondary/obsolete/fantasy identifier