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Heterocyclic compounds

Syringomycin E

Also known as (R)-1-(N-(3-Hydroxy-1-oxododecyl)-L-serine)syringomycin A1

CAS 124888-22-8Formula C53H85ClN14O17Molar mass 1,225.80 g/mol
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Syringomycin E chemical structure, C53H85ClN14O17, CAS 124888-22-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
124888-22-8
Formula
C53H85ClN14O17
Molar mass
1,225.80 g/mol
HS code
293499
Category
Heterocyclic compounds

What is Syringomycin E?

Plain description, key identifiers and synonyms

Syringomycin E is a member of the class of syringomycins that has 3-hydroxydodecanoyl as the fatty acyl tail group. It is isolated from Pseudomonas syringae pv. syringae and exhibits phytotoxic and antifungal properties. It has a role as an antifungal agent and a phytotoxin. It is a lipopeptide antibiotic and a syringomycin.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[(3S,6S,9Z,12S,15S,18R,21S,24R,27S)-18,21-bis(2-aminoethyl)-12-benzyl-3-[(1S)-2-chloro-1-hydroxyethyl]-15-[3-(diaminomethylideneamino)propyl]-9-ethylidene-27-[[(3R)-3-hydroxydodecanoyl]amino]-24-(hydroxymethyl)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hydroxyacetic acid
CAS number
124888-22-8
Molecular formula
C53H85ClN14O17
InChIKey
ZQVJBRJGDVZANE-MTGUCJNSSA-N
InChI
InChI=1S/C53H85ClN14O17/c1-3-5-6-7-8-9-13-17-30(70)25-39(72)60-37-28-85-52(84)40(38(71)26-54)67-50(81)41(42(73)51(82)83)68-43(74)31(4-2)61-47(78)35(24-29-15-11-10-12-16-29)65-44(75)32(18-14-23-59-53(57)58)62-45(76)33(19-21-55)63-46(77)34(20-22-56)64-48(79)36(27-69)66-49(37)80/h4,10-12,15-16,30,32-38,40-42,69-71,73H,3,5-9,13-14,17-28,55-56H2,1-2H3,(H,60,72)(H,61,78)(H,62,76)(H,63,77)(H,64,79)(H,65,75)(H,66,80)(H,67,81)(H,68,74)(H,82,83)(H4,57,58,59)/b31-4-/t30-,32+,33-,34+,35+,36-,37+,38-,40+,41+,42+/m1/s1
Canonical SMILES
CC=C1NC(=O)C(Cc2ccccc2)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CO)NC(=O)C(NC(=O)CC(O)CCCCCCCCC)COC(=O)C(C(O)CCl)NC(=O)C(C(O)C(=O)O)NC1=O
Isomeric SMILES
CCCCCCCCC[C@H](CC(=O)N[C@H]1COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)/C(=C/C)/NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CO)CCN)CCN)CCCN=C(N)N)CC2=CC=CC=C2)[C@@H](C(=O)O)O)[C@@H](CCl)O)O

Synonyms

  • (R)-1-(N-(3-Hydroxy-1-oxododecyl)-L-serine)syringomycin A1

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
1,225.80 g/molcalc.
Exact mass
1,224.5906 Dacalc.
LogP (octanol/water)
-5.64calc.
Topological polar surface area
522.9 Ųcalc.
Hydrogen bond donors
18calc.
Hydrogen bond acceptors
19calc.
Rotatable bonds
26calc.
Heavy atoms
85calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.62calc.
Formal charge
0calc.
Stereocentres
11calc.
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, C=C1NC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CCOC(=O)CNC(=O)CNC1=O

C=C1NC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CCOC(=O)CNC(=O)CNC1=O

2 rings, 45 atoms.

5 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.

Syringomycin E suppliers

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Syringomycin E price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antifungal agent
  • antimicrobial agent
  • eukaryotic metabolite
  • metabolite
  • phytotoxin
  • plant metabolite
  • poison
  • toxin

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 Syringomycin E 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 Syringomycin E is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Syringomycin E, based on the data on this page

What is Syringomycin E?

Syringomycin E is a member of the class of syringomycins that has 3-hydroxydodecanoyl as the fatty acyl tail group. It is isolated from Pseudomonas syringae pv. syringae and exhibits phytotoxic and antifungal properties. It has a role as an antifungal agent and a phytotoxin.

What is the CAS number of Syringomycin E?

The CAS registry number of Syringomycin E is 124888-22-8.

What is the molecular formula and weight of Syringomycin E?

The molecular formula of Syringomycin E is C53H85ClN14O17 and its molar mass is 1,225.80 g/mol.

What is Syringomycin E used for?

Known uses and roles of Syringomycin E include antifungal agent, antimicrobial agent, eukaryotic metabolite, metabolite, phytotoxin and 3 more.

Is Syringomycin E hazardous?

No GHS hazard classification for Syringomycin E 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 Syringomycin E?

Syringomycin E 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 Syringomycin E?

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What is the price of Syringomycin E?

Suppliers quote Syringomycin E 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 Syringomycin E

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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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