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

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cefaloridine

	Properties	Image
MNX_ID	MNXM45946
reference	chebi:3537
formula	C₁₉H₁₇N₃O₄S₂
global charge	0
mol weight	415.496
InChIKey	CZTQZXZIADLWOZ-CRAIPNDOSA-N
InChI	InChI=1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/t15-,18-/m1/s1
SMILES	O=C(CC1=CC=CS1)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3=CC=CC=C3)CS[C@H]12

MNX internals

InChI (mnx)	InChI=1/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/t15-,18-/m1/s1
SMILES (mnx)	[CH:1]1=[CH:2][CH:6]=[N+:21]([CH2:10][C:12]2=[C:16]([C:19](=[O:25])[O-:26])[N:22]3[C:17](=[O:24])[C@@H:15]([N:20]=[C:14]([CH2:9][C:13]4=[CH:5][CH:4]=[CH:8][S:27]4)[OH:23])[C@H:18]3[S:28][CH2:11]2)[CH:7]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3537 chebi:3537 CZTQZXZIADLWOZ-CRAIPNDOSA-N	cefaloridine (6R,7R)-8-oxo-3-(pyridinium-1-ylmethyl)-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 3-(pyridinium-1-ylmethyl)-7beta-[(2-thienylacetyl)amino]-3,4-didehydrocepham-4-carboxylate 7-((2-Thienyl)acetamido)-3-(1-pyridylmethyl)cephalosporanic acid Cefaloridin Cefalorizin Ceflorin Cepaloridin Cepalorin Cephaloridin Cephaloridine Cephaloridinum N-(7-((2-Thienyl)acetamido)ceph-3-em-3-ylmethyl)pyridinium-4-carboxylate N-(7-(2'-Thienylacetamidoceph-3-ylmethyl))-pyridinium-2-carboxylate cefaloridina cefaloridinum
seed.compound:cpd08560 seedM:cpd08560 CZTQZXZIADLWOZ-CRAIPNDOSA-N	Cefaloridine Cefaloridin Cefalorizin Cepaloridin Cephaloridin Cephaloridine Cephaloridinum Glaxoridin Kefloridin Loridine cephaloridine
sabiork.compound:24626 sabiorkM:24626 CZTQZXZIADLWOZ-CRAIPNDOSA-N	Cephaloridin
kegg.drug:D01075 keggD:D01075 CZTQZXZIADLWOZ-CRAIPNDOSA-N	Cephaloridine (USAN) Cefaloridine (JAN/INN) Kefloridin (TN)
sabiork.compound:13813 sabiorkM:13813 kegg.compound:C11754 keggC:C11754 CZTQZXZIADLWOZ-CRAIPNDOSA-N	Cephaloridine Cefaloridine
hmdb:HMDB0303624 CZTQZXZIADLWOZ-CRAIPNDOSA-N	Floridin (6R,7R)-8-oxo-3-(Pyridinium-1-ylmethyl)-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (6R,7R)-8-oxo-3-(Pyridinium-1-ylmethyl)-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-{[(6R,7R)-2-carboxylato-7-{[1-hydroxy-2-(thiophen-2-yl)ethylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridin-1-ium 7-((2-Thienyl)acetamido)-3-(1-pyridylmethyl)cephalosporanate 7-((2-Thienyl)acetamido)-3-(1-pyridylmethyl)cephalosporanic acid CER Cefaloridin Cefaloridina Cefaloridine Cefaloridinum Cefalorizin Ceflorin Cepaloridin Cepalorin Cephalomycine Cephaloridin Cephaloridine Cephaloridinum Ceporin Kefloridin N-(7-((2-Thienyl)acetamido)ceph-3-em-3-ylmethyl)pyridinium-4-carboxylate N-(7-((2-Thienyl)acetamido)ceph-3-em-3-ylmethyl)pyridinium-4-carboxylic acid N-(7-(2'-Thienylacetamidoceph-3-ylmethyl))-pyridinium-2-carboxylate N-(7-(2'-Thienylacetamidoceph-3-ylmethyl))-pyridinium-2-carboxylic acid deflorin
metacyc.compound:CPD-9228 metacycM:CPD-9228 CZTQZXZIADLWOZ-CRAIPNDOSA-N	cephaloridine Cefaloridin Cefalorizin Cepaloridin Cephaloridin Cephaloridinum Glaxoridin Kefloridin Loridine
chebi:235235 keggC:M_C11754 keggD:M_D01075 seedM:M_cpd08560	secondary/obsolete/fantasy identifier