enterobactin
Chemical Formula:
C30H27N3O15
Molecular Weight:
669.554 Daltons
Monoisotopic Mass:
669.1442172138001 Daltons
SMILES:
C2(C(NC(=O)C1(C(O)=C(O)C=CC=1))C(OCC(C(OCC(C(=O)O2)NC(=O)C3(C(O)=C(O)C=CC=3))=O)NC(=O)C4(C=CC=C(O)C(O)=4))=O)
InChI:
1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42)/t16-,17-,18-/m0/s1
InChIKey:
Synonyms
- (2,3-dihydroxybenzoylserine)3
- enterochelin
Databases
MetaCyc:
ENTEROBACTIN
BiGG:
enter
PubChem (CID):
34231
MetaboLights:
MTBLC28855
HMDB:
HMDB32199
ChemSpider:
672
ChEBI:
28855
KEGG:
C05821
Reactome:
1222366
Seed:
cpd03453
MetaNetX:
MNXM883