Malonylniphimycin

CAT: 0013-GTR19255482-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19255482-02Size:10 mg

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Description

Malonylniphimycin is a macrolide antibiotic. It exhibits resistance against Gram-positive bacteria, fungi, and yeasts.

CAS Number

200498-88-0

Field of Research

Infectious Disease & Virology

Smiles

OC12OC (CC (OC (CC (O) =O) =O) C1O) CC (OC (CC (O) =O) =O) CC (O) CC (O) C (C) C (O) C=CC=CC (C) C (C (CC (CCCC=CCCCNC (NC) =N) C) C) OC (=O) C (C) C (O) C=CC (C) C (O) CC (O) C (C) C (O) CCC (C) C (O) C2

Molecular Formula

C62H105N3O21

Molecular Weight

1228.51

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Malonylniphimycin

Malonylniphimycin has been reported in Streptomyces hygroscopicus with data available.

CAS Number	200498-88-0
PubChem CID	139584425
IUPAC Name	3-[[(10Z,12Z,20Z)-35-(2-carboxyacetyl)oxy-5,7,9,19,23,25,27,31,33,34-decahydroxy-14,18,22,26,30-pentamethyl-15-[(E)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]-3-oxopropanoic acid
Molecular Formula	C61H103N3O21
Molecular Weight	1214.5
XLogP	4.8
Topological Polar Surface Area	415
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	20
Heavy Atom Count	85
Formal Charge	0
Complexity	2160

SMILES

CC1CCC(C(C(CC(C(/C=C\C(C(C(=O)OC(C(/C=C\C=C/C(CC(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)OC(=O)CC(=O)O)OC(=O)CC(=O)O)O)O)O)C)C(C)CC(C)CCC/C=C/CCCNC(=NC)N)C)O)C)O)O)C)O

InChI

InChI=1S/C61H103N3O21/c1-35(17-13-11-9-10-12-16-24-64-60(62)63-8)25-39(5)57-38(4)18-14-15-19-42(65)26-43(66)27-44(67)28-45(82-55(77)32-53(73)74)29-46-30-52(83-56(78)33-54(75)76)58(79)61(81,85-46)34-51(72)37(3)21-22-47(68)40(6)50(71)31-49(70)36(2)20-23-48(69)41(7)59(80)84-57/h9-10,14-15,18-20,23,35-52,57-58,65-72,79,81H,11-13,16-17,21-22,24-34H2,1-8H3,(H,73,74)(H,75,76)(H3,62,63,64)/b10-9+,18-14-,19-15-,23-20-

InChIKey

YUIKWBAVBDCXTC-SSMOIPJNSA-N

Chemical Structure

2D Structure

CAS: 200498-88-0

CID: 139584425

Formula: C61H103N3O21

MW: 1214.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1214.5
XLogP3	4.8
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	20
Exact Mass	1213.70840730
Monoisotopic Mass	1213.70840730
Topological Polar Surface Area	415 Å²
Heavy Atom Count	85
Formal Charge	0
Complexity	2160
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	21
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-N14191	Malonylniphimycin

Malonylniphimycin

Chemical Information

Alternative Products

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