Molecule

Enacyloxin IIa

AlkaPlorer ID: AK035949

Synonym: None

IUPAC Name: (1S,3R,4S)-3-[(2E,4E,6E,8E,10Z,20E)-19-carbamoyloxy-11,18-dichloro-13,14,17-trihydroxy-6,12-dimethyl-15-oxotricosa-2,4,6,8,10,20-hexaenoyl]oxy-4-hydroxycyclohexane-1-carboxylic acid

Structure

SMILES: CC/C=C/C(OC(=N)O)C(Cl)C(O)CC(=O)C(O)C(O)C(C)/C(Cl)=C/C=C/C=C(C)/C=C/C=C/C(=O)O[C@@H]1C[C@@H](C(=O)O)CC[C@@H]1O

InChI: InChI=1S/C33H45Cl2NO11/c1-4-5-13-26(47-33(36)45)29(35)24(38)18-25(39)31(42)30(41)20(3)22(34)12-8-6-10-19(2)11-7-9-14-28(40)46-27-17-21(32(43)44)15-16-23(27)37/h5-14,20-21,23-24,26-27,29-31,37-38,41-42H,4,15-18H2,1-3H3,(H2,36,45)(H,43,44)/b8-6+,11-7+,13-5+,14-9+,19-10+,22-12-/t20?,21-,23-,24?,26?,27+,29?,30?,31?/m0/s1

InChIKey: IWBADCVFZDCUTN-DTRFTOPNSA-N

Reference

Enacyloxins Are Products of an Unusual Hybrid Modular Polyketide Synthase Encoded by a Cryptic Burkholderia ambifaria Genomic Island

PubChem CID: 15139149

LOTUS: LTS0099994

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NPAtlas: NPA011770

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Frateuria sp.	Frateuria	Rhodanobacteraceae	Xanthomonadales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 702.6250000000001

TPSA？: 214.9

MolLogP？: 4.010970000000004

Number of H-Donors: 7

Number of H-Acceptors: 10

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi