Molecule

Kalimantacin C

AlkaPlorer ID: AK303493

Synonym: None

IUPAC Name: (2E,10Z,12E)-20-(3-carbamoyloxybutanoylamino)-19-hydroxy-3,5,15-trimethyl-7-methylidene-17-oxoicosa-2,10,12-trienoic acid

Structure

SMILES: C=C(CC/C=C\C=C\CC(C)CC(=O)CC(O)CN=C(O)CC(C)OC(=N)O)CC(C)C/C(C)=C/C(=O)O

InChI: InChI=1S/C29H46N2O7/c1-20(13-22(3)14-23(4)16-28(35)36)11-9-7-6-8-10-12-21(2)15-25(32)18-26(33)19-31-27(34)17-24(5)38-29(30)37/h6-8,10,16,21-22,24,26,33H,1,9,11-15,17-19H2,2-5H3,(H2,30,37)(H,31,34)(H,35,36)/b7-6-,10-8+,23-16+

InChIKey: VWVAAKIWHSCMIW-YHKKGOIFSA-N

Reference

Kalimantacins A, B and C, Novel Antibiotics fromAlealigenes sp. YL-02632S. I. Taxonomy, Fermentation, Isolation and Biological Propertie.

PubChem CID: 10052850

CAS: 174423-38-2

LOTUS: LTS0072721

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NPAtlas: NPA008308

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Alcaligenes sp.	Alcaligenes	Alcaligenaceae	Burkholderiales	Betaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 534.6940000000003

TPSA？: 160.5

MolLogP？: 5.863270000000004

Number of H-Donors: 5

Number of H-Acceptors: 6

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi