Molecule

Kalimantacin A; 10E-Isomer

AlkaPlorer ID: AK303489

Synonym: Kalimantacin B

IUPAC Name: (2E,10Z,12E)-20-[(3-carbamoyloxy-2-methylbutanoyl)amino]-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)C(C)C(C)OC(=N)O)CC(C)C/C(C)=C/C(=O)O

InChI: InChI=1S/C30H48N2O7/c1-20(14-22(3)15-23(4)17-28(35)36)12-10-8-7-9-11-13-21(2)16-26(33)18-27(34)19-32-29(37)24(5)25(6)39-30(31)38/h7-9,11,17,21-22,24-25,27,34H,1,10,12-16,18-19H2,2-6H3,(H2,31,38)(H,32,37)(H,35,36)/b8-7-,11-9+,23-17+

InChIKey: GENAAYFYLGYPIQ-JOPGMDTFSA-N

Reference

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

PubChem CID: 10482623

CAS: 174513-96-3

LOTUS: LTS0027345

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NPAtlas: NPA015478

Source

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

Properties Information

Molecule Weight: 548.7210000000003

TPSA？: 160.5

MolLogP？: 6.109270000000005

Number of H-Donors: 5

Number of H-Acceptors: 6

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi