6-aminopenicillanate

Chemical Formula:

C₈H₁₂N₂O₃S

Molecular Weight:

216.254 Daltons

Monoisotopic Mass:

217.06468798400002 Daltons

SMILES:

CC1(C)(S[CH]2(C([N+])C(=O)N(C(C([O-])=O)1)2))

InChI:

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

InChIKey:

NGHVIOIJCVXTGV-ALEPSDHESA-N

Synonyms

Databases

MetaCyc: 6-AMINOPENICILLANATE

MetaboLights: MTBLC57869

HMDB: HMDB60618

ChEBI: 57869

PubChem (CID): 7057887 11082

KEGG: C02954

CAS: 551-16-6

RefMet: 6-Aminopenicillanic acid 6-aminopenicillanic acid

Seed: cpd01896

MetaNetX: MNXM2495