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carumonam

PropertiesImage
MNX_IDMNXM103539 Image of MNXM103539
referencechebi:55486
formulaC12H14N6O10S2
global charge0
mol weight466.41
InChIKeyUIMOJFJSJSIGLV-JNHMLNOCSA-N
InChIInChI=1S/C12H14N6O10S2/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26)/b17-7-/t5-,8+/m1/s1
SMILESNC(=O)OC[C@@H]1[C@H](NC(=O)/C(=N\OCC(=O)O)C2=CSC(N)=N2)C(=O)N1S(=O)(=O)O
MNX internals
InChI (mnx)InChI=1/C12H14N6O10S2/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26)/b17-7-/t5-,8+/m1/s1 Image of MNXM103539
SMILES (mnx)[CH2:1]([C@@H:5]1[C@H:8](/[N:16]=[C:9]([C:7](/[C:4]2=[CH:3][S:29][C:11](=[NH:13])[NH:15]2)=[N:17]\[O:28][CH2:2][C:6](=[O:19])[OH:20])\[OH:21])[C:10](=[O:22])[N:18]1[S:30]([OH:24])(=[O:25])=[O:26])[O:27][C:12](=[NH:14])[OH:23]
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:55486
chebi:55486
UIMOJFJSJSIGLV-JNHMLNOCSA-N 		carumonam
({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-({(2S,3S)-2-[(carbamoyloxy)methyl]-4-oxo-1-sulfoazetidin-3-yl}amino)-2-oxoethylidene]amino}oxy)acetic acid
carumonamum

sabiork.compound:27421
sabiorkM:27421
UIMOJFJSJSIGLV-JNHMLNOCSA-N 		Carumonam

kegg.drug:D07625
keggD:D07625
UIMOJFJSJSIGLV-JNHMLNOCSA-N 		Carumonam (INN)
CRMN

CHEBI:55492
chebi:55492
UIMOJFJSJSIGLV-JNHMLNOCSA-M 		carumonam(1-)
({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-({(2S,3S)-2-[(carbamoyloxy)methyl]-4-oxo-1-sulfoazetidin-3-yl}amino)-2-oxoethylidene]amino}oxy)acetate
carumonam anion

keggD:M_D07625 		secondary/obsolete/fantasy identifier