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penicillin G

Properties Image MNX_ID MNXM1812 reference chebi:51354 formula C16H17N2O4S global charge -1 mol weight 333.389 InChIKey JGSARLDLIJGVTE-MBNYWOFBSA-M InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/p-1/t11-,12+,14-/m1/s1 SMILES CC1(C)S[C@@H]2[C@H](NC(=O)CC3=CC=CC=C3)C(=O)N2[C@H]1C(=O)[O-] MNX internals InChI (mnx) InChI=1/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 SMILES (mnx) [CH3:1][C:16]1([CH3:2])[C@H:12]([C:15](=[O:21])[OH:22])[N:18]2[C:13](=[O:20])[C@@H:11]([N:17]=[C:10]([CH2:8][C:9]3=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]3)[OH:19])[C@H:14]2[S:23]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 17 in models (compartimentalized) 7

Similar chemical compounds in external resources

Identifier	Description
CHEBI:51354 chebi:51354 JGSARLDLIJGVTE-MBNYWOFBSA-M	penicillin G (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylate benzylpenicillin(1-)
kegg.drug:D02336 keggD:D02336 JGSARLDLIJGVTE-MBNYWOFBSA-N	Benzylpenicillin (INN) Penicillin G
bigg.metabolite:acgbgbside_hs biggM:acgbgbside_hs JGSARLDLIJGVTE-MBNYWOFBSA-N	Beta GalNAc globoside (homo sapiens)
bigg.metabolite:peng biggM:peng vmhM:peng vmhM:peng vmhmetabolite:peng vmhmetabolite:peng JGSARLDLIJGVTE-MBNYWOFBSA-M	Penicillin G
hmdb:HMDB0015186 JGSARLDLIJGVTE-MBNYWOFBSA-N	Penicillin G (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6-(2-Phenylacetamido)penicillanate 6-(2-Phenylacetamido)penicillanic acid Antibioticos brand OF penicillin g sodium Bencilpenicilina Benpen Bensylpenicillin Benzyl benicillin Benzylpenicillin Benzylpenicillin potassium Benzylpenicillinate Benzylpenicilline Benzylpenicillinic acid Benzylpenicillinum Bioniche brand OF penicillin g sodium Britannia brand OF penicillin g sodium CEPA brand OF penicillin g sodium CSL Brand OF penicillin g sodium Clonmel brand OF penicillin g sodium Coliriocilina Crystapen Ern brand OF penicillin g sodium Free penicillin II Gruenenthal brand OF penicillin g potassium Jenapharm brand OF penicillin g sodium Lakeside brand OF penicillin g sodium Llorente brand OF penicillin g sodium Medical brand OF penicillin g potassium Medical brand OF penicillin g sodium Normon brand OF penicillin g sodium Or-pen Ortega brand OF penicillin g potassium PCG PG Parcillin Parmed brand OF penicillin g potassium Pekamin Pengesod Penibiot Penicilina g llorente Penicillin g Penicillin g jenapharm Penicillin g potassium Penicillin g sodium Penicillin gruenenthal Penilevel Peniroger Pfizer brand OF penicillin g potassium Pfizerpen Sodiopen Sodipen Sodium benzylpenicillin Sodium penicillin UCB brand OF penicillin g sodium Unicilina Ursopen Van-pen-g Vangard brand OF penicillin g potassium penicillin G
sabiork.compound:7979 sabiorkM:7979 kegg.compound:C05551 keggC:C05551 JGSARLDLIJGVTE-MBNYWOFBSA-N	Penicillin G Benzylpenicillin
seed.compound:cpd03292 seedM:cpd03292 JGSARLDLIJGVTE-MBNYWOFBSA-M	Penicillin G Benzylpenicillin benzylpenicillin penicillin G
CHEBI:18208 chebi:18208 JGSARLDLIJGVTE-MBNYWOFBSA-N	benzylpenicillin (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylic acid 6-(2-phenylacetamido)penicillanic acid Benzylpenicillin PCG PENICILLIN G PG Penicillin G bencilpenicilina bensylpenicillin benzyl benicillin benzylpenicilline benzylpenicillinic acid benzylpenicillinum free penicillin II
vmhM:acgbgbside_hs vmhM:acgbgbside_hs vmhmetabolite:acgbgbside_hs vmhmetabolite:acgbgbside_hs JGSARLDLIJGVTE-MBNYWOFBSA-N	beta GalNAc globoside
metacyc.compound:PENICILLIN-G metacycM:PENICILLIN-G JGSARLDLIJGVTE-MBNYWOFBSA-M	penicillin G benzylpenicillin
hmdb:HMDB15186 chebi:14743 chebi:25866 chebi:45073 chebi:7962 biggM:M_acgbgbside_hs biggM:M_peng keggC:M_C05551 keggD:M_D02336 seedM:M_cpd03292 vmhM:M_acgbgbside_hs vmhM:M_peng	secondary/obsolete/fantasy identifier