Surfactin
Also known as surfactin C, Leu7-Surfactin, iso-C15-Surfactin
Key facts
What buyers check first
- CAS number
- 24730-31-2
- Formula
- C53H93N7O13
- Molar mass
- 1,036.36 g/mol
- EC number
- 607-428-2
- HS code
- 293499
- Category
- Surfactants and detergents
What is Surfactin?
Plain description, key identifiers and synonyms
Surfactin C is a cyclodepsipeptide that is N-[(3R)-3-hydroxy-13-methyltetradecanoyl]-L-alpha-glutamyl-L-leucyl-D-leucyl-L-valyl-L-alpha-aspartyl-D-leucyl-L-leucine in which the C-terminal carboxy group has been lactonised by condensation with the alcoholic hydroxy group. It has a role as an antiviral agent, a metabolite, an antibacterial agent, a surfactant, an antineoplastic agent, an antifungal agent and a platelet aggregation inhibitor. It is a lipopeptide antibiotic, a cyclodepsipeptide and a macrocyclic lactone.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid
- CAS number
- 24730-31-2 CAS number cross-checkedOther or deprecated CAS: 1393353-89-3, 252023-70-4
- EC number
- 607-428-2
- Molecular formula
- C53H93N7O13
- UNII
- E6T3DJ8ZVE
- InChIKey
- NJGWOFRZMQRKHT-WGVNQGGSSA-N
- InChI
- InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1
- Canonical SMILES
- CC(C)CCCCCCCCCC1CC(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O1
- Isomeric SMILES
- CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O
Synonyms
- surfactin C
- Leu7-Surfactin
- iso-C15-Surfactin
- Surfactin(mixture of isomers)
- surfactin from bacillus subtilis
- Cyclo(L-a-aspartyl-D-leucyl-L-leucyl-3-hydroxy-13-methyltetradecanoyl-L-a-glutamyl-L-leucyl-D-leucyl-L-valyl)
- Surfactin, from Bacillus subtilis, >=98.0% (HPLC)
- Cyclo[L-alpha-aspartyl-D-leucyl-L-leucyl-(3R)-3-hydroxy-13-methyltetradecanoyl-L-alpha-glutamyl-L-leucyl-D-leucyl-L-valyl]
- Leucine, N-[N-[N-[N-[N-[N-[N-(3-hydroxy-13-methyltetradecanoyl)-L-alpha-glutamyl]-L-leucyl]-D-leucyl]-L-valyl]-L-alpha-aspartyl]-D-leucyl]-, psi-lactone, L-
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 | 1,036.36 g/molcalc.Computed value |
|---|---|
| Exact mass | 1,035.6831 Dacalc.Computed value |
| LogP (octanol/water) | 5.04calc.Computed value |
| Topological polar surface area | 304.6 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 9calc.Computed value |
| Hydrogen bond acceptors | 11calc.Computed value |
| Rotatable bonds | 24calc.Computed value |
| Heavy atoms | 73calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.81calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 8calc.Computed value |
| Lipinski rule of five | Fails (4 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=C1CCOC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN1
1 ring, 33 atoms.
18 other chemicals share this scaffoldSafety 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.
Surfactin suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- Price on request
- Australia, SmithfieldUnclaimed profileSurfactinGrade, purity and minimum order on requestPrice on request
- United States, St. PaulUnclaimed profileSurfactinGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
4 suppliers in 4 countries
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Surfactin price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Roles
- antibacterial agent
- antifungal agent
- antimicrobial agent
- antineoplastic agent
- antiviral agent
- emulsifier
- hematologic agent
- metabolite
- pharmaceutical
- platelet aggregation inhibitor
- surfactant
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 Surfactin is traded under.
Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934
- United States24.5%
- Germany23.1%
- Japan4.5%
The HS code shown for Surfactin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Surfactin, based on the data on this page
What is Surfactin?
What is the CAS number of Surfactin?
What is the molecular formula and weight of Surfactin?
What is Surfactin used for?
Is Surfactin hazardous?
What is the HS code of Surfactin?
Where can I buy Surfactin?
What is the price of Surfactin?
Guides for buyers
Practical guides that help when you source, ship or handle Surfactin
- Article, FormulationHow to choose a cosmetic emulsifierA structured way to choose an emulsifier for creams and lotions: emulsion type, HLB and its limits, emulsifier families, formula fit, stability testing and what to ask suppliers.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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