triglucosyl-enterobactin
Chemical Formula:
C48H57N3O30
Molecular Weight:
1155.98 Daltons
Monoisotopic Mass:
1155.3026875083 Daltons
SMILES:
C(O)C7(OC(C1(C=C(C(=C(C=1)O)O)C(=O)NC6(COC(C(NC(C3(C=C(C2(OC(CO)C(O)C(O)C(O)2))C=C(C=3O)O))=O)COC(C(NC(C5(C(O)=C(C=C(C4(OC(CO)C(O)C(O)C(O)4))C=5)O))=O)COC(=O)6)=O)=O)))C(O)C(O)C(O)7)
InChI:
1S/C48H57N3O30/c52-7-25-31(61)34(64)37(67)40(79-25)13-1-16(28(58)22(55)4-13)43(70)49-19-10-76-47(74)21(51-45(72)18-3-15(6-24(57)30(18)60)42-39(69)36(66)33(63)27(9-54)81-42)12-78-48(75)20(11-77-46(19)73)50-44(71)17-2-14(5-23(56)29(17)59)41-38(68)35(65)32(62)26(8-53)80-41/h1-6,19-21,25-27,31-42,52-69H,7-12H2,(H,49,70)(H,50,71)(H,51,72)/t19-,20-,21-,25+,26+,27+,31+,32+,33+,34-,35-,36-,37+,38+,39+,40-,41-,42-/m0/s1
InChIKey:
Synonyms
- TGE
Databases
MetaCyc:
CPD-21581
ChEBI:
142960
PubChem (CID):
102264108