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6-aminopenicillanate

PropertiesImage
MNX_IDMNXM2495 Image of MNXM2495
referencechebi:57869
formulaC8H12N2O3S
global charge0
mol weight216.262
InChIKeyNGHVIOIJCVXTGV-ALEPSDHESA-N
InChIInChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
SMILESCC1(C)S[C@@H]2[C@H]([NH3+])C(=O)N2[C@H]1C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1 Image of MNXM2495
SMILES (mnx)[CH3:1][C:8]1([CH3:2])[C@H:4]([C:7](=[O:12])[OH:13])[N:10]2[C:5](=[O:11])[C@@H:3]([NH2:9])[C@H:6]2[S:14]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)16
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57869
chebi:57869
NGHVIOIJCVXTGV-ALEPSDHESA-N 		6-aminopenicillanate
(2S,5R,6R)-6-azaniumyl-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
6-aminopenicillanic acid zwitterion
6-azaniumyl-2,2-dimethylpenam-3alpha-carboxylate

bigg.metabolite:6ampenc
biggM:6ampenc 		6 Aminopenicillanate

bigg.metabolite:6apa
biggM:6apa 		6 Aminopenicillanic acid

seed.compound:cpd01896
seedM:cpd01896
NGHVIOIJCVXTGV-ALEPSDHESA-N 		6-Aminopenicillanate
6-APA
6-Aminopenicillanic acid
6-aminopenicillanate
6ampenc

sabiork.compound:2606
sabiorkM:2606
kegg.compound:C02954
keggC:C02954
NGHVIOIJCVXTGV-ALEPSDHESA-M
NGHVIOIJCVXTGV-ALEPSDHESA-N 		6-Aminopenicillanate
6-Aminopenicillanic acid

vmhM:6apclnt
vmhmetabolite:6apclnt
NGHVIOIJCVXTGV-ALEPSDHESA-N 		6-Aminopenicillanic acid
hmdb:HMDB0060618
NGHVIOIJCVXTGV-ALEPSDHESA-N 		6-Aminopenicillanic acid
(+)-6-Aminopenicillanate
(+)-6-Aminopenicillanic acid
(2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
(2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
6-APA
6-APA CPD
6-Aminopenicillamine acid
6-Aminopenicillanate
6-Aps
6b-Aminopenicillanate
6b-Aminopenicillanic acid
6beta-Aminopenicillanate
6beta-Aminopenicillanic acid
6beta-aminopenicillanate
6beta-aminopenicillanic acid
Aminopenicillanate
Aminopenicillanic acid
Aminopenicillanic acid, potassium salt
Aminopenicillanic acid, sodium salt
Penicin
Penin
Phenacyl 6-aminopenicillinate
Phenacyl 6-aminopenicillinic acid
penin

CHEBI:30938
chebi:30938
NGHVIOIJCVXTGV-ALEPSDHESA-M 		6-aminopenicillanate
(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

metacyc.compound:6-AMINOPENICILLANATE
metacycM:6-AMINOPENICILLANATE
NGHVIOIJCVXTGV-ALEPSDHESA-N 		6-aminopenicillanate
6-APA
6-Aminopenicillanic acid

CHEBI:16705
chebi:16705
NGHVIOIJCVXTGV-ALEPSDHESA-N 		6-aminopenicillanic acid
(+)-6-aminopenicillanic acid
(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
6-APA
6-Aminopenicillamine acid
6-Aminopenicillanate
6-Aminopenicillanic acid
6-Apa
6-Aps
6-amino-2,2-dimethylpenam-3alpha-carboxylic acid
6beta-aminopenicillanic acid
Aminopenicillanic acid
Penicin
Penin
Phenacyl 6-aminopenicillinate

envipath:...a5644e452daa
envipathM:...a5644e452daa
envipath:...065d05486ea8
envipathM:...065d05486ea8
NGHVIOIJCVXTGV-ALEPSDHESA-M 		compound 0054115

hmdb:HMDB60618
chebi:12207
chebi:20704
chebi:20705
chebi:2172
biggM:M_6ampenc
biggM:M_6apa
keggC:M_C02954
seedM:M_cpd01896
vmhM:M_6apclnt 		secondary/obsolete/fantasy identifier