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Impurities and reference standards

Cereulide

Also known as cyclo(Leu-Ala-Val-Val)3, cyclo(D-O-Leu-D-Ala-L-O-Val-L-Val)3, Valinomicin Impurity 2

CAS 157232-64-9Formula C57H96N6O18Molar mass 1,153.42 g/mol
1 supplier listed
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Cereulide chemical structure, C57H96N6O18, CAS 157232-64-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
157232-64-9
Formula
C57H96N6O18
Molar mass
1,153.42 g/mol
HS code
293499
Category
Impurities and reference standards

What is Cereulide?

Plain description, key identifiers and synonyms

cereulide has been reported in Bacillus cereus.

Cereulide is an emetic toxin produced by Bacillus cereus.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,15,27-trimethyl-6,18,30-tris(2-methylpropyl)-9,12,21,24,33,36-hexa(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
CAS number
157232-64-9
Molecular formula
C57H96N6O18
MDL number
MFCD24448755
InChIKey
JWWAHGUHYLWQCQ-UHZBFKKDSA-N
InChI
InChI=1S/C57H96N6O18/c1-25(2)22-37-46(64)58-34(19)52(70)79-44(32(15)16)50(68)62-41(29(9)10)56(74)77-39(24-27(5)6)48(66)60-36(21)54(72)81-45(33(17)18)51(69)63-42(30(11)12)57(75)78-38(23-26(3)4)47(65)59-35(20)53(71)80-43(31(13)14)49(67)61-40(28(7)8)55(73)76-37/h25-45H,22-24H2,1-21H3,(H,58,64)(H,59,65)(H,60,66)(H,61,67)(H,62,68)(H,63,69)/t34-,35-,36-,37-,38-,39-,40+,41+,42+,43+,44+,45+/m1/s1
Canonical SMILES
CC(C)CC1OC(=O)C(C(C)C)NC(=O)C(C(C)C)OC(=O)C(C)NC(=O)C(CC(C)C)OC(=O)C(C(C)C)NC(=O)C(C(C)C)OC(=O)C(C)NC(=O)C(CC(C)C)OC(=O)C(C(C)C)NC(=O)C(C(C)C)OC(=O)C(C)NC1=O
Isomeric SMILES
C[C@@H]1C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N1)CC(C)C)C(C)C)C(C)C)C)CC(C)C)C(C)C)C(C)C)C)CC(C)C)C(C)C)C(C)C

Synonyms

  • cyclo(Leu-Ala-Val-Val)3
  • cyclo(D-O-Leu-D-Ala-L-O-Val-L-Val)3
  • Valinomicin Impurity 2
  • Natural product from Bacillus cereus

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
1,153.42 g/molcalc.
Exact mass
1,152.6781 Dacalc.
LogP (octanol/water)
3.51calc.
Topological polar surface area
332.4 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
18calc.
Rotatable bonds
12calc.
Heavy atoms
81calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.79calc.
Formal charge
0calc.
Stereocentres
12calc.
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=C1COC(=O)CNC(=O)COC(=O)CNC(=O)COC(=O)CNC(=O)COC(=O)CNC(=O)COC(=O)CNC(=O)COC(=O)CN1

O=C1COC(=O)CNC(=O)COC(=O)CNC(=O)COC(=O)CNC(=O)COC(=O)CNC(=O)COC(=O)CNC(=O)COC(=O)CN1

1 ring, 48 atoms.

6 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.

Cereulide suppliers

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

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  • Organix Inc.
    United StatesUnclaimed profile
    CereulideGrade, purity and minimum order on request
    Price on request
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Where suppliers are based

1 supplier in 1 country

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Cereulide price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Cereulide is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Cereulide?

cereulide has been reported in Bacillus cereus.

What is the CAS number of Cereulide?

The CAS registry number of Cereulide is 157232-64-9.

What is the molecular formula and weight of Cereulide?

The molecular formula of Cereulide is C57H96N6O18 and its molar mass is 1,153.42 g/mol.

Is Cereulide hazardous?

No GHS hazard classification for Cereulide 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 Cereulide?

Cereulide is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cereulide?

CompoundList lists 1 supplier of Cereulide in 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 Cereulide?

Suppliers quote Cereulide 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 Cereulide

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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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