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

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(7R)-7-(4-carboxybutanamido)cephalosporanate

	Properties	Image
MNX_ID	MNXM3402
reference	chebi:58693
formula	C₁₅H₁₆N₂O₈S
global charge	-2
mol weight	384.366
InChIKey	IXUSDMGLUJZNFO-BXUZGUMPSA-L
InChI	InChI=1S/C15H18N2O8S/c1-7(18)25-5-8-6-26-14-11(13(22)17(14)12(8)15(23)24)16-9(19)3-2-4-10(20)21/h11,14H,2-6H2,1H3,(H,16,19)(H,20,21)(H,23,24)/p-2/t11-,14-/m1/s1
SMILES	CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CCCC(=O)[O-])[C@H]2SC1

MNX internals

InChI (mnx)	InChI=1/C15H18N2O8S/c1-7(18)25-5-8-6-26-14-11(13(22)17(14)12(8)15(23)24)16-9(19)3-2-4-10(20)21/h11,14H,2-6H2,1H3,(H,16,19)(H,20,21)(H,23,24)/t11-,14-/m1/s1
SMILES (mnx)	[CH3:1][C:7](=[O:18])[O:25][CH2:5][C:8]1=[C:12]([C:15](=[O:23])[OH:24])[N:17]2[C:13](=[O:22])[C@@H:11]([N:16]=[C:9]([CH2:3][CH2:2][CH2:4][C:10](=[O:20])[OH:21])[OH:19])[C@H:14]2[S:26][CH2:6]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:58693 chebi:58693 IXUSDMGLUJZNFO-BXUZGUMPSA-L	(7R)-7-(4-carboxybutanamido)cephalosporanate (6R,7R)-3-[(acetyloxy)methyl]-7-(4-carboxylatobutanamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (7R)-7-(4-carboxylatobutanamido)cephalosporanate
sabiork.compound:23297 sabiorkM:23297 IXUSDMGLUJZNFO-BXUZGUMPSA-N	(7R)-7-(4-Carboxybutanamido)cephalosporanate
kegg.compound:C15666 keggC:C15666 IXUSDMGLUJZNFO-BXUZGUMPSA-N	(7R)-7-(4-Carboxybutanamido)cephalosporanate 7-Glutarylaminocephalosporanate
metacyc.compound:CPD-7270 metacycM:CPD-7270 IXUSDMGLUJZNFO-BXUZGUMPSA-L	(7R)-7-(4-carboxybutanamido)cephalosporanate 7-Glutarylaminocephalosporanate
CHEBI:41425 chebi:41425 IXUSDMGLUJZNFO-BXUZGUMPSA-N	(7R)-7-(4-carboxybutanamido)cephalosporanic acid (6R,7R)-3-[(acetyloxy)methyl]-7-(4-carboxybutanamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (7R)-7-(4-Carboxybutanamido)cephalosporanate 7-Glutarylaminocephalosporanate 7BETA-(4CARBOXYBUTANAMIDO) CEPHALOSPORANIC ACID Gl-7-Aca Glutaryl-7-aca Glutaryl-7-aminocephalosporanic acid
vmhM:gacphprnt vmhmetabolite:gacphprnt IXUSDMGLUJZNFO-BXUZGUMPSA-N	7-Glutarylaminocephalosporanate
seed.compound:cpd11309 seedM:cpd11309 IXUSDMGLUJZNFO-BXUZGUMPSA-L	7-Glutarylaminocephalosporanate (7R)-7-(4-Carboxybutanamido)cephalosporanate (7R)-7-(4-carboxybutanamido)cephalosporanate
keggC:M_C15666 seedM:M_cpd11309 vmhM:M_gacphprnt	secondary/obsolete/fantasy identifier