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(7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

PropertiesImage
MNX_IDMNXM173425 Image of MNXM173425
referencechebi:93903
formulaC10H12N2O5S
global charge0
mol weight272.282
InChIKeyHSHGZXNAXBPPDL-VJSCVCEBSA-N
InChIInChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9?/m1/s1
SMILESCC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N)C2SC1
MNX internals
InChI (mnx)InChI=1/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9?/m1/s1 Image of MNXM173425
SMILES (mnx)[CH3:1][C:4](=[O:13])[O:17][CH2:2][C:5]1=[C:7]([C:10](=[O:15])[OH:16])[N:12]2[C:8](=[O:14])[C@@H:6]([NH2:11])[CH:9]2[S:18][CH2:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:93903
chebi:93903
HSHGZXNAXBPPDL-VJSCVCEBSA-N
(7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
hmdb:HMDB0247232
HSHGZXNAXBPPDL-UHFFFAOYSA-N
7-Aminocephalosporanic acid
3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-Aminocephalosporanate
7-aminocephalosporanic acid