Enacyloxin IIa

CAT: 0931-TN10487-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-TN10487-01Size:10 mg

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CAS Number

126518-41-0

Target

Antibacterial, Antibiotic

Related Pathways

Microbiology/Virology

Bioactivity

Enacyloxin IIa (ENX IIa) is a polyene antibiotic with activity against both Gram-positive and Gram-negative bacteria, while exhibiting weak antifungal properties and no effect on yeast.

Smiles

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

Molecular Formula

C33H45Cl2NO11

Molecular Weight

702.617

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Enacyloxin IIa

enacyloxin iia has been reported in Frateuria with data available.

CAS Number	126518-41-0
PubChem CID	15139149
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
Molecular Formula	C33H45Cl2NO11
Molecular Weight	702.6
XLogP	3.7
Topological Polar Surface Area	214
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	20
Heavy Atom Count	47
Formal Charge	0
Complexity	1240

SMILES

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

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

Chemical Structure

2D Structure

CAS: 126518-41-0

CID: 15139149

Formula: C33H45Cl2NO11

MW: 702.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	702.6
XLogP3	3.7
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	20
Exact Mass	701.2369666
Monoisotopic Mass	701.2369666
Topological Polar Surface Area	214 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1240
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	6
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
GTR19255809-01	Enacyloxin IIa

Enacyloxin IIa

Chemical Information

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