acinetobactin
Chemical Formula:
C16H18N4O5
Molecular Weight:
346.342 Daltons
Monoisotopic Mass:
346.1277197091 Daltons
SMILES:
CC3([CH](NC(C1(C=CC=C(O)C=1O))=O)C(N(CCC2(=CN=CN2))O3)=O)
InChI:
1S/C16H18N4O5/c1-9-13(19-15(23)11-3-2-4-12(21)14(11)22)16(24)20(25-9)6-5-10-7-17-8-18-10/h2-4,7-9,13,21-22H,5-6H2,1H3,(H,17,18)(H,19,23)/t9-,13-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-21002
PubChem (CID):
49802052