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coelimycin P1

Go to external page http://purl.obolibrary.org/obo/CHEBI_142547

An organosulfur heterocyclic compound that is 1,5-oxathiocane which has been substituted at the 2-pro-R, 3, 6, and 8 positions by oxo, acetamido, 5,6-dihydropyridin-2(1H)-ylidene, and (2E)-but-2-enoyl groups, respectively, and which has been dehydrogenated to introduce a double bond at the 7-8 position. It was isolated from Streptomyces coelicolor M145 after genetically engineered increase of the metabolic flux and is the product of a polyketide biosynthetic gene cluster.

Term info

Label

coelimycin P1

Synonyms
  • N-[(3R,6E,7Z)-8-[(2E)-but-2-enoyl]-6-(5,6-dihydropyridin-2(1H)-ylidene)-2-oxo-3,4-dihydro-2H,6H-1,5-oxathiocin-3-yl]acetamide
database cross reference
Subsets

3_STAR

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

charge

0

formula

C17H20N2O4S

has obo namespace

chebi_ontology

has related synonym

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, N-[(3R)-8-[(2E)-but-2-enoyl]-2-oxo-6-[(2E)-1,2,5,6-tetrahydropyridin-2-ylidene]-2,3,4,6-tetrahydro-1,5-oxathiocin-3-yl]acetamide

id

CHEBI:142547

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

mass

348.418

monoisotopicmass

348.11438

smiles

C1S\C(\C=C(OC([C@]1(NC(C)=O)[H])=O)C(/C=C/C)=O)=C/2\NCCC=C2