Malonylniphimycin

CAT: 0931-TN10881-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-TN10881-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

200498-88-0

Target

Antifungal, Antibiotic, Antibacterial

Related Pathways

Microbiology/Virology

Bioactivity

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

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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

Loading 3D structure...

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
GTR19255482-01	Malonylniphimycin

Malonylniphimycin

Chemical Information

Alternative Products

Popular Products