Surfactin B (CED0003940)

Record Information
Version1.0
Creation Date2026-04-06 02:26:53 UTC
Update Date2026-05-21 02:16:04 UTC
Accession NumberCHEM114784
Identification
Common NameSurfactin B
ClassSmall Molecule
Description
Surfactin B is a chemical compound with the molecular formula C52H91N7O13. Surfactin B belongs to the depsipeptides, a subclass of peptidomimetics within the organic compounds. With an average molecular weight of 1,022 g/mol, Surfactin B is a heavy molecule. This compound is found in or released from 13 recorded sources across several diverse sectors. Within the electrical and electronic equipment sector, it is associated with cell phones, capacitors, batteries, printed circuit boards, wires and cables, and one additional source. In the textiles, leather and furnishings sector, it is found in synthetic textiles as well as carpets and rugs. It is also present in food packaging within the food, food processing and cookware sector, and in medical devices within the healthcare, pharmaceuticals and veterinary products sector. Furthermore, Surfactin B is utilized as lubricants in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, with one other sector also recorded. Exposure to this compound can occur through three recorded routes: inhalation, oral, and touch.
Contaminant Type
  • Mycotoxin
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC52H91N7O13
Average Molecular Mass1022.336 g/mol
Monoisotopic Mass1021.667 g/mol
CAS Registry Number136109-79-0
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H][C@@]1(CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)CC(CCCCCCCCC(C)C)OC(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC1=O)C(C)C
InChI IdentifierInChI=1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1
InChI KeyDDULCZLFAKVKJB-JIXKVBNCSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
7PesticidesAgriculture & land managementNot Available
120Wires and cablesElectrical & Electronic EquipmentNot Available
121Printed circuit boardsElectrical & Electronic EquipmentNot Available
125BatteriesElectrical & Electronic EquipmentNot Available
130SemiconductorsElectrical & Electronic EquipmentNot Available
138LubricantsEnergy, oil & gasNot Available
147Food packagingFood, food processing & cookwareNot Available
174LubricantsIndustrial manufacturing & chemical processingNot Available
234Medical devicesHealthcare, pharmaceuticals & veterinary productsNot Available
451Carpets and RugsTextiles, leather & furnishingsNot Available
454Synthetic textilesTextiles, leather & furnishingsNot Available
490Personal care & cosmeticsNot Available
492Cell phonesElectrical & Electronic EquipmentNot Available
493CapacitorsElectrical & Electronic EquipmentNot Available
606Plant Growth RegulatorsAgriculture & land managementNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Prolactin receptor structureClick to view 3D structureProlactin receptorP16471HumansPredicted (SEA)5.60514
Click to view 3D structureEndothelin-1 receptorQ29010Sus scrofaPredicted (SEA)18.6838
Endothelin-1 receptor structureClick to view 3D structureEndothelin-1 receptorP25101HumansPredicted (SEA)89.5266
Click to view 3D structureBeta-1,3-glucan synthaseO13428Candida albicansPredicted (SEA)4.51525
T-cell surface antigen CD2 structureClick to view 3D structureT-cell surface antigen CD2P06729HumansPredicted (SEA)24.9118
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)422.021
Kelch-like protein 20 structureClick to view 3D structureKelch-like protein 20Q9Y2M5HumansPredicted (SEA)12.2223
Click to view 3D structureHistone deacetylase 11Q96DB2HumansPredicted (SEA)140.829
Histone deacetylase 2 structureClick to view 3D structureHistone deacetylase 2Q92769HumansPredicted (SEA)306.959
Click to view 3D structurePolyamine deacetylase HDAC10Q969S8HumansPredicted (SEA)116.151
Histone deacetylase 3 structureClick to view 3D structureHistone deacetylase 3O15379HumansPredicted (SEA)282.671
Click to view 3D structureEndothelin-1 receptorP26684Rattus norvegicusPredicted (SEA)54.8837
Melanoma-associated antigen 4 structureClick to view 3D structureMelanoma-associated antigen 4P43358HumansPredicted (SEA)36.2777
Beclin-1 structureClick to view 3D structureBeclin-1Q14457HumansPredicted (SEA)101.515
Click to view 3D structureCadherin-2P19022HumansPredicted (SEA)15.1806
SPRY domain-containing SOCS box protein 2 structureClick to view 3D structureSPRY domain-containing SOCS box protein 2O88838Mus musculusPredicted (SEA)5.60514
Sodium channel protein type 9 subunit alpha structureClick to view 3D structureSodium channel protein type 9 subunit alphaQ15858HumansPredicted (SEA)215.253
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)955.911
Click to view 3D structureVoltage-dependent calcium channel alpha-1 subunitO18323Blattella germanicaPredicted (SEA)103.384
Click to view 3D structureHistone deacetylaseQ9GUA8Cryptosporidium parvumPredicted (SEA)14.4021
Sodium channel protein type 4 subunit alpha structureClick to view 3D structureSodium channel protein type 4 subunit alphaP35499HumansPredicted (SEA)133.122
Sodium channel protein type 8 subunit alpha structureClick to view 3D structureSodium channel protein type 8 subunit alphaQ9UQD0HumansPredicted (SEA)169.011
Carbon storage regulator structureClick to view 3D structureCarbon storage regulatorP69913Escherichia coliPredicted (SEA)65.0819
Click to view 3D structureHistone deacetylaseQ9GU59Cryptosporidium parvumPredicted (SEA)13.3901
Kallikrein-7 structureClick to view 3D structureKallikrein-7P49862HumansPredicted (SEA)55.3508
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available