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CHEBI:201577 - Penicillin-Streptomycin Solution (100X)

ChEBI IDCHEBI:201577
ChEBI NamePenicillin-Streptomycin Solution (100X)
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18N2O4S.C21H39N7O12
Net Charge0
Average Mass915.977
Monoisotopic Mass915.36440
SMILESCC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.CNC1C(OC2C(OC3C(O)C(O)C(N=C(N)N)C(O)C3N=C(N)N)OC(C)C2(O)C=O)OC(CO)C(O)C1O
InChIInChI=1S/C21H39N7O12.C16H18N2O4S/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)
InChIKeyYVSHCKXUFJPXCX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Penicillin-Streptomycin Solution (100X) (CHEBI:201577) is a amino cyclitol (CHEBI:61689)
Penicillin-Streptomycin Solution (100X) (CHEBI:201577) is a glycoside (CHEBI:24400)
IUPAC Name 
2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-ormyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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