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Heterocyclic compounds

Enterobactin

Also known as Enterochelin, tri-(2,3-dihydroxy-N-benzoyl-L-serine)-ester, tri-(N-(2,3-dihydroxybenzoyl)-L-serine)-ester

CAS 28384-96-5Formula C30H27N3O15Molar mass 669.55 g/mol
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Enterobactin chemical structure, C30H27N3O15, CAS 28384-96-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
28384-96-5
Formula
C30H27N3O15
Molar mass
669.55 g/mol
HS code
293220
Category
Heterocyclic compounds

What is Enterobactin?

Plain description, key identifiers and synonyms

Enterobactin is a macrotriolide produced by certain members of Enterobacteriaceae, e.g. Escherichia coli and Salmonella. It has a role as a siderophore and a bacterial metabolite. It is a macrotriolide, a polyphenol, a member of catechols and a crown compound. It is a conjugate acid of an enterobactin(6-) and an enterobactin(1-).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[(3S,7S,11S)-7,11-bis[(2,3-dihydroxybenzoyl)amino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]-2,3-dihydroxybenzamide
CAS number
28384-96-5 CAS number cross-checked
Molecular formula
C30H27N3O15
UNII
35C9R2N24F
MDL number
MFCD16876395
InChIKey
SERBHKJMVBATSJ-BZSNNMDCSA-N
InChI
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
Canonical SMILES
O=C(NC1COC(=O)C(NC(=O)c2cccc(O)c2O)COC(=O)C(NC(=O)c2cccc(O)c2O)COC1=O)c1cccc(O)c1O
Isomeric SMILES
C1[C@@H](C(=O)OC[C@@H](C(=O)OC[C@@H](C(=O)O1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O)NC(=O)C4=C(C(=CC=C4)O)O

Synonyms

  • Enterochelin
  • tri-(2,3-dihydroxy-N-benzoyl-L-serine)-ester
  • tri-(N-(2,3-dihydroxybenzoyl)-L-serine)-ester
  • Benzamide, N,N',N''-(2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris(2,3-dihydroxy-, (3S-(3R*,7R*,11R*)))-
  • N-[(3S,7S,11S)-7,11-bis[(2,3-dihydroxybenzoyl)amino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]-2,3-dihydroxybenzamide
  • N-((3S,7S,11S)-7,11-bis((2,3-dihydroxybenzoyl)amino)-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl)-2,3-dihydroxybenzamide
  • N-((3S,7S,11S)-7,11-bis(2,3-dihydroxybenzamido)-2,6,10-trioxo-1,5,9-trioxacyclododecan-3-yl)-2,3-dihydroxybenzamide
  • N-(7,11-bis((2,3-dihydroxybenzoyl)amino)-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl)-2,3-dihydroxybenzamide
  • Enterochellin
  • Enterobactin from Escherichia coli
  • N,N',N''-((3S,7S,11S)-2,6,10-Trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris(2,3-dihydroxybenzamide)
  • N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide)
  • Cyclotris(N-2,3-dihydroxybenzoyl-L-seryl)
  • Chymosin preparation, Escherichia coli K-12
  • N-(2,3-Dihydroxybenzoyl)-l-serine trimolecular cyclic ester
  • Benzamide, N,N',N''-(2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris[2,3-dihydroxy-, [3S-(3R*,7R*,11R*)]-
  • benzamide, N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-dihydroxy-
  • 2xuz
  • H6ent
  • Benzamide, N,N',N''-((3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris(2,3-dihydroxy-
  • Benzamide, N,N',N''-(2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris(2,3-dihydroxy-, (3S-(3R*,7R*,11R*))-
  • (3S,7S,11S)-3,7,11-Tris(2,3-dihydroxybenzoylamino)-1,5,9-trioxacyclododecane-2,6,10-trione
  • N,N',N''-((3S,7S,11S)-2,6,10- trioxo-1,5,9-trioxacyclododecane- 3,7,11-triyl)tris(2,3-dihydroxybenzamide)
  • 1,5,9-Trioxacyclododecane, benzamide deriv.
  • (3S-(3R*,7R*,11R*))-N,N',N''-(2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris(2,3-dihydroxybenzamide)
Show all 32 synonyms
  • Benzamide, N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-dihydroxy- (9CI)
  • N-(2,3-dihydroxybenzoyl)-O-[N-(2,3-dihydroxybenzoyl)-O-[N-(2,3-dihydroxybenzoyl)-L-seryl]-L-seryl]-L-serine-(3->1(3))-lactone
  • N-(2,3-Dihydroxybenzoyl)cyclo[L-Ser*-N-(2,3-dihydroxybenzoyl)-L-Ser*-N-(2,3-dihydroxybenzoyl)-L-Ser*-]
  • N-[(3S,7S,11S)-7,11-bis[(2,3-dihydroxybenzene)amido]-2,6,10-trioxo-1,5,9-trioxacyclododecan-3-yl]-2,3-dihydroxybenzamide
  • N-[(3S,7S,11S)-7,11-bis[(2,3-dihydroxybenzoyl)amino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]-2,3-dihydroxy-benzamide
  • o-Pyrocatechuamide, N,N',N''-(2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris- (8CI)
  • Tri-(N-(2,3-Dihydroxybenzoyl)-L-serine)-ester, N,N',N''-((3S,7S,11S)-2,6,10- trioxo-1,5,9-trioxacyclododecane- 3,7,11-triyl)tris(2,3-dihydroxybenzamide)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
669.55 g/molcalc.
Exact mass
669.1442 Dacalc.
LogP (octanol/water)
-0.74calc.
Topological polar surface area
287.6 Ųcalc.
Hydrogen bond donors
9calc.
Hydrogen bond acceptors
15calc.
Rotatable bonds
6calc.
Heavy atoms
48calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.2calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(NC1COC(=O)C(NC(=O)c2ccccc2)COC(=O)C(NC(=O)c2ccccc2)COC1=O)c1ccccc1

O=C(NC1COC(=O)C(NC(=O)c2ccccc2)COC(=O)C(NC(=O)c2ccccc2)COC1=O)c1ccccc1

4 rings, 42 atoms.

3 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Enterobactin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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Where suppliers are based

4 suppliers in 3 countries

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Enterobactin price

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Siderophores

Roles

  • bacterial metabolite
  • biophysical role
  • chelator
  • cofactor
  • ionophore
  • iron chelator
  • iron ionophore
  • iron(3+) chelator
  • ligand
  • membrane transport modulator
  • metabolite
  • prokaryotic metabolite
  • siderophore

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Enterobactin is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Enterobactin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Enterobactin, based on the data on this page

What is Enterobactin?

Enterobactin is a macrotriolide produced by certain members of Enterobacteriaceae, e.g. Escherichia coli and Salmonella. It has a role as a siderophore and a bacterial metabolite. It is a macrotriolide, a polyphenol, a member of catechols and a crown compound.

What is the CAS number of Enterobactin?

The CAS registry number of Enterobactin is 28384-96-5.

What is the molecular formula and weight of Enterobactin?

The molecular formula of Enterobactin is C30H27N3O15 and its molar mass is 669.55 g/mol.

What is Enterobactin used for?

Known uses and roles of Enterobactin include bacterial metabolite, biophysical role, chelator, cofactor, ionophore and 9 more.

Is Enterobactin hazardous?

No GHS hazard classification for Enterobactin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Enterobactin?

Enterobactin is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Enterobactin?

CompoundList lists 4 suppliers of Enterobactin in China, Australia and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Enterobactin?

Suppliers quote Enterobactin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Enterobactin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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