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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H27N3O15
Molecular Weight 669.5465
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ENTEROBACTIN

SMILES

OC1=CC=CC(C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)C3=C(O)C(O)=CC=C3)NC(=O)C4=C(O)C(O)=CC=C4)=C1O

InChI

InChIKey=SERBHKJMVBATSJ-BZSNNMDCSA-N
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

HIDE SMILES / InChI

Molecular Formula C30H27N3O15
Molecular Weight 669.5465
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
35C9R2N24F
Record Status Validated (UNII)
Record Version