Botanical Cyclopeptides

Enniatin B1

恩镰孢菌素B1

PHY-NP-06817 · Natural product research catalog

Catalog number	PHY-NP-06817
CAS number	19914-20-6
Molecular formula	C₃₄H₅₉N₃O₉
Molecular weight	653.858 g/mol
Chemical class	Botanical Cyclopeptides
Main reported source	Fusarium oxysporum
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Enniatin B1 is listed in the Botanical Cyclopeptides section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

IUPAC name	(3S,6R,9S,12R,15S,18R)-3-[(2S)-butan-2-yl]-4,10,16-trimethyl-6,9,12,15,18-penta(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
SMILES	CC[C@H](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)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C
InChIKey	UQCSETXJXJTMKO-UMURLBKASA-N
Subclass / scaffold	Cyclic peptides Depsipeptides
PubChem CID	11262300

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification

Ring count	1
Aromatic rings	0
Fraction Csp³	0.824
Synthetic accessibility score	5.2
QED score	0.298
Lipinski rule violations	1
NPClassifier pathway	Amino acids and Peptides；Polyketides
NPClassifier superclass	Oligopeptides
NPClassifier class	Cyclic peptides；Depsipeptides
Parent SMILES	CC[C@H](C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C(C)C)C(=O)N1C
Parent formula	C₃₄H₅₉N₃O₉
Parent molecular weight	653.858
Specified stereocenters	7
Unspecified stereocenters	0

Main reported source	Fusarium oxysporum
Reported source families	Nectriaceae; Pinaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references

LOTUS / Wikidata species	Fusarium oxysporum[1]; Fusarium tricinctum[1]; Pinus sylvestris[1]
All reported source families	Nectriaceae[3]; Pinaceae[1]
Genus / family records	Fusarium[1]
LOTUS species records	3
LOTUS reference records	4
COCONUT occurrence records	Alcea rosea; Alcyonium utinomii; Aldisa sanguinea; Alpinia blepharocalyx; Anguilla japonica; Aonidiella aurantii; Aplysina archeri; Araiostegiella perdurans; Aspergillus carneus; Aspergillus striatus; Balanops australiana; Cortinarius odoratus; Eleutherobia albiflora; Eucalyptus jenseni; Euonymus tingens; Euphorbia cornigera; Fusarium; Fusarium oxysporum; Fusarium sp. F31; Fusarium tricinctum; Fusarium tricinctum + Streptomyces lividans/Bacillus subtilis; Gymnopus confluens; Hylocomium splendens; Kokoona reflexa; Macrolepiota neomastoidea; Maesa ramentacea; Melolontha melolontha; Millettia laurentii; Monodora tenuifolia; Nototodarus sloanii
COCONUT organism records	41
COCONUT identifier	CNP0207794.2

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Certificate of analysis (COA)	Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

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