Molecule

Coelimycin P1

AlkaPlorer ID: AK049925

Synonym: None

IUPAC Name: N-[(3R,6E,7Z)-8-[(E)-but-2-enoyl]-6-(2,3-dihydro-1H-pyridin-6-ylidene)-2-oxo-3,4-dihydro-1,5-oxathiocin-3-yl]acetamide

Structure

SMILES: C/C=C/C(=O)/C1=C/C(=C2/C=CCCN2)SC[C@H](N=C(C)O)C(=O)O1

InChI: InChI=1S/C17H20N2O4S/c1-3-6-14(21)15-9-16(12-7-4-5-8-18-12)24-10-13(17(22)23-15)19-11(2)20/h3-4,6-7,9,13,18H,5,8,10H2,1-2H3,(H,19,20)/b6-3+,15-9-,16-12+/t13-/m0/s1

InChIKey: RHGMVWUZXGSXCT-IAGKGVPHSA-N

Reference

Structure and biosynthesis of the unusual polyketide alkaloid coelimycin P1, a metabolic product of the cpk gene cluster of Streptomyces coelicolor M145

PubChem CID: 129320460

LOTUS: LTS0041732

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NPAtlas: NPA020344

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces coelicolor	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 348.4240000000001

TPSA？: 87.99

MolLogP？: 2.4116

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT001465	C/C=C/C(=O)C1/C=C(/C2=NCCC=C2)SC[C@H](NC(C)=O)C(=O)O1>>C/C=C/C(=O)/C1=C/C(=C2/C=CCCN2)SC[C@H](NC(C)=O)C(=O)O1	RXN-18629