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

Feedback

moxalactam

	Properties	Image
MNX_ID	MNXM1107872
reference	chebi:599928
formula	C₂₀H₂₀N₆O₉S
global charge	0
mol weight	520.48
InChIKey	JWCSIUVGFCSJCK-CAVRMKNVSA-N
InChI	InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12?,18-,20+/m1/s1
SMILES	CO[C@@]1(NC(=O)C(C(=O)O)C2=CC=C(O)C=C2)C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CO[C@@H]21

MNX internals

InChI (mnx)	InChI=1/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12?,18-,20+/m1/s1
SMILES (mnx)	[CH3:1][N:25]1[C:19]([S:36][CH2:8][C:10]2=[C:13]([C:16](=[O:31])[OH:32])[N:26]3[C:17](=[O:33])[C@:20]([N:21]=[C:14]([CH:12]([C:9]4=[CH:4][CH:6]=[C:11]([OH:27])[CH:5]=[CH:3]4)[C:15](=[O:29])[OH:30])[OH:28])([O:34][CH3:2])[C@H:18]3[O:35][CH2:7]2)=[N:22][N:23]=[N:24]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:599928 chebi:599928 JWCSIUVGFCSJCK-CAVRMKNVSA-N	moxalactam (6R,7R)-7-{[carboxy(4-hydroxyphenyl)acetyl]amino}-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid LMOX Lamoxactam Latamoxef Moxalactam Oxa-cephem festamoxin latamoxef latamoxefum
kegg.drug:D08109 keggD:D08109 JWCSIUVGFCSJCK-CAVRMKNVSA-N	Latamoxef (INN)
hmdb:HMDB0015574 JWCSIUVGFCSJCK-CAVRMKNVSA-N	Latamoxef (6R,7R)-7-[2-carboxy-2-(4-hydroxyphenyl)acetamido]-7-methoxy-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1 Oxacephalosporin 1-Oxacephalosporin Disodium latamoxef Disodium moxalactam Disodium, moxalactam Festamoxin LMOX Lamoxactam Latamoxef, disodium Latamoxefum Moxalactam Moxalactam disodium Moxalactam, disodium Oxa-cephem Shiomarin latamoxef
seed.compound:cpd04464 seedM:cpd04464 JWCSIUVGFCSJCK-CAVRMKNVSA-L	Latamoxef Moxalactam
sabiork.compound:24613 sabiorkM:24613 JWCSIUVGFCSJCK-CAVRMKNVSA-N	Moxalactam
kegg.compound:C07231 keggC:C07231 JWCSIUVGFCSJCK-CAVRMKNVSA-N	Moxalactam Latamoxef
hmdb:HMDB15574 chebi:214506 chebi:44113 chebi:7006 keggC:M_C07231 keggD:M_D08109 seedM:M_cpd04464	secondary/obsolete/fantasy identifier