Malolactomycin C

CAT: 0931-TN8062-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-TN8062-01Size:10 mg

Selected

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

Quick Request Actions

CAS Number

189759-03-3

Target

Antibiotic

Related Pathways

Microbiology/Virology

Bioactivity

Malolactomycin C (compound 1) is a macrocyclic lactone antifungal antibiotic isolated from the Streptomyces strain KP-3144. It effectively inhibits Botrytis cinerea (gray mold), thereby controlling various plant diseases, including gray mold infections.

Smiles

OC12OC(CC(OC(CC(O)=O)=O)CC(O)CC(O)CC(O)C(C)C(O)C=CC=CC(C)C(C(CC(=CCCCCCNC(NC)=N)C)C)OC(=O)C(C)C(O)C(C)=CCC(O)C(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)C1)(CC(O)C2O)[H]

Molecular Formula

C62H109N3O20

Molecular Weight

1216.54

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Malolactomycin C

CID 9855102 has been reported in Streptomyces with data available.

CAS Number	189759-03-3
PubChem CID	9855102
IUPAC Name	3-oxo-3-[[(12E,14E,22E)-5,7,9,11,21,25,27,29,31,35,37,38,39-tridecahydroxy-10,16,20,22,26,30,34-heptamethyl-17-[(E)-4-methyl-10-[(N'-methylcarbamimidoyl)amino]dec-4-en-2-yl]-19-oxo-18,41-dioxabicyclo[35.3.1]hentetraconta-12,14,22-trien-3-yl]oxy]propanoic acid
Molecular Formula	C62H109N3O20
Molecular Weight	1216.5
XLogP	3.7
Topological Polar Surface Area	413
Hydrogen Bond Donor Count	16
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	14
Heavy Atom Count	85
Formal Charge	0
Complexity	2130

SMILES

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

InChI

InChI=1S/C62H109N3O20/c1-34(17-13-11-12-16-24-65-61(63)64-10)25-38(5)58-37(4)18-14-15-19-47(68)39(6)50(71)28-44(67)26-43(66)27-45(83-56(78)32-55(76)77)29-46-30-53(74)59(80)62(82,85-46)33-54(75)35(2)20-22-48(69)40(7)51(72)31-52(73)41(8)49(70)23-21-36(3)57(79)42(9)60(81)84-58/h14-15,17-19,21,35,37-54,57-59,66-75,79-80,82H,11-13,16,20,22-33H2,1-10H3,(H,76,77)(H3,63,64,65)/b18-14+,19-15+,34-17+,36-21+

InChIKey

XCVHAWZLPUJTAT-VRCLEKHYSA-N

Chemical Structure

2D Structure

CAS: 189759-03-3

CID: 9855102

Formula: C62H109N3O20

MW: 1216.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1216.5
XLogP3	3.7
Hydrogen Bond Donor Count	16
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	14
Exact Mass	1215.76044287
Monoisotopic Mass	1215.76044287
Topological Polar Surface Area	413 Å²
Heavy Atom Count	85
Formal Charge	0
Complexity	2130
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	23
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T14849-01	C-NH-Boc-C-Bis- (C-PEG1-Boc)
T41069-01	CHO-C-PEG2-C-CHO
T87513-01	Thalidomide-azetidine-C-PIP-C-boc
TN11169-01	Levinoid C
TN4897	Rauvotetraphylline C
T78484-01	Xanthohumol C
TN6196	Buxifoliadine C
TN5256	Wilforol C
T125850-01	Schisanlignone C
TN4208	Heteroclitin C

Alternative Products

Catalog	Name
PHA75903	Malolactomycin C

Malolactomycin C

Chemical Information

Related Products

Alternative Products

Popular Products