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

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hematinate

	Properties	Image
MNX_ID	MNXM167895
reference	metacycM:CPD-18928
formula	C₈H₈NO₄
global charge	-1
mol weight	182.155
InChIKey	ZAFOEDODWZIXMO-UHFFFAOYSA-M
InChI	InChI=1S/C8H9NO4/c1-4-5(2-3-6(10)11)8(13)9-7(4)12/h2-3H2,1H3,(H,10,11)(H,9,12,13)/p-1
SMILES	CC1=C(CCC(=O)[O-])C(=O)NC1=O

MNX internals

InChI (mnx)	InChI=1/C8H9NO4/c1-4-5(2-3-6(10)11)8(13)9-7(4)12/h2-3H2,1H3,(H,10,11)(H,9,12,13)
SMILES (mnx)	[CH3:1][C:4]1=[C:5]([CH2:2][CH2:3][C:6](=[O:10])[OH:11])[C:8](=[O:13])[N:9]=[C:7]1[OH:12]

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
metacyc.compound:CPD-18928 metacycM:CPD-18928 seed.compound:cpd35040 seedM:cpd35040 ZAFOEDODWZIXMO-UHFFFAOYSA-M	hematinate hematinic acid
seedM:M_cpd35040	secondary/obsolete/fantasy identifier