FERRIC ENTEROBACTIN ION

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H21N3O15.Fe
Molecular Weight	719.344
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	-3

SHOW SMILES / InChI

Structure Search

SMILES

[Fe+3].[O-]C1=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)=C1[O-]

InChI

InChIKey=NGILTSZTOFYVBF-UVJOBNTFSA-H

InChI=1S/C30H27N3O15.Fe/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);/q;+3/p-6/t16-,17-,18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C30H24N3O15
Molecular Weight	666.5227
Charge	-3
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Fe
Molecular Weight	55.845
Charge	3
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:43:50 GMT 2025` Edited by `admin` on `Mon Mar 31 22:43:50 GMT 2025`
Record UNII	AF1D66MEGV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FERRIC ENTEROBACTIN ION

Common Name

English

FERRIC ENTEROBACTIN

Preferred Name

English

FERRATE(3-), ((N,N',N''-((3S,7S,11S)-2,6,10-TRIOXO-1,5,9-TRIOXACYCLODODECANE-3,7,11-TRIYL)TRIS(2,3-DI(HYDROXY-.KAPPA.O)BENZAMIDATO))(6-))-, (OC-6-22-A)-

Systematic Name

English

FERRIC ENTEROBACTIN [MI]

Common Name

English

FERRIENTEROBACTIN

Common Name

English

FERRIENTEROCHELIN

Common Name

English

Code System Code Type Description

CAS

61481-53-6