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cefotaxime(1-)

PropertiesImage
MNX_IDMNXM729554 Image of MNXM729554
referencechebi:53670
formulaC16H16N5O7S2
global charge-1
mol weight454.466
InChIKeyGPRBEKHLDVQUJE-QSWIMTSFSA-M
InChIInChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/p-1/b20-9-/t10-,14-/m1/s1
SMILESCO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)C1=CSC(N)=N1
MNX internals
InChI (mnx)InChI=1/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1 Image of MNXM729554
SMILES (mnx)[CH3:1][C:6](=[O:22])[O:28][CH2:3][C:7]1=[C:11]([C:15](=[O:25])[OH:26])[N:21]2[C:13](=[O:24])[C@@H:10](/[N:19]=[C:12]([C:9](/[C:8]3=[CH:5][S:30][C:16](=[NH:17])[NH:18]3)=[N:20]\[O:27][CH3:2])\[OH:23])[C@H:14]2[S:29][CH2:4]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
IdentifierDescription

CHEBI:53670
chebi:53670
GPRBEKHLDVQUJE-QSWIMTSFSA-M 		cefotaxime(1-)
(6R,7R)-3-(acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
3-(acetoxymethyl)-7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3,4-didehydrocepham-4-carboxylate

sabiork.compound:9008
sabiorkM:9008
kegg.compound:C06885
keggC:C06885
GPRBEKHLDVQUJE-QSWIMTSFSA-N 		Cefotaxime

kegg.drug:D07647
keggD:D07647
GPRBEKHLDVQUJE-QSWIMTSFSA-N 		Cefotaxime (INN)
Cefotaxim Hikma (TN)
hmdb:HMDB0014636
GPRBEKHLDVQUJE-QSWIMTSFSA-N 		Cefotaxime
(6R,7R)-3-(Acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
(6R,7R)-3-(Acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-3-Acetoxymethyl-7-{2-(2-amino-thiazol-4-yl)-2-[(Z)-methoxyimino]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate
(6R,7R)-3-Acetoxymethyl-7-{2-(2-amino-thiazol-4-yl)-2-[(Z)-methoxyimino]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-3-[(acetyloxy)methyl]-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R,Z)-3-(Acetoxymethyl)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate
(6R,7R,Z)-3-(Acetoxymethyl)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Aventis brand OF cefotaxime sodium
Aventis pharma brand OF cefotaxime sodium
Benaxima
Biosint
CTX
Cefotaxim
Cefotaxim hikma
Cefotaxima
Cefotaxime sodium
Cefotaximum
Cefradil
Cephotaxim
Cephotaxime
Claforan
Fotexina
Fustery brand OF cefotaxime sodium
Galen brand OF cefotaxime sodium
Hoechst brand OF cefotaxime sodium
Kendrick
Klaforan
Liomont brand OF cefotaxime sodium
Merck brand OF cefotaxime sodium
Pisa brand OF cefotaxime sodium
Primafen
Sodium, cefotaxime
Taporin
Viken brand OF cefotaxime sodium
cefotaxime

CHEBI:204928
chebi:204928
GPRBEKHLDVQUJE-QSWIMTSFSA-N 		cefotaxime
(6R,7R)-3-(acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-3-Acetoxymethyl-7-{2-(2-amino-thiazol-4-yl)-2-[(Z)-methoxyimino]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R,Z)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-(acetoxymethyl)-7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3,4-didehydrocepham-4-carboxylic acid
Cephotaxime
cefotaxima
cefotaximum

hmdb:HMDB14636
chebi:112504
chebi:3497
chebi:41475
keggC:M_C06885
keggD:M_D07647 		secondary/obsolete/fantasy identifier