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Microcolin H

CAT: 0013-GTR19233609-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233609-02Size:10 mg
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Description
Microcolin H is a marine-derived lipopeptide that acts as a phosphatidylinositol transfer protein (PITPα/β) ligand. It induces autophagic cell death in cancer cells by promoting LC3I to LC3II conversion and reducing p62, and it has demonstrated anti-tumor efficacy in subcutaneous mouse xenograft models.
CAS Number
2408008-21-7
Field of Research
Cell Biology
Smiles
C (=O) ([C@H]1N (C ([C@@H] (N (C ([C@@H] (NC ([C@@H] (N (C ([C@@H] (CCCCCC) C) =O) C) CC (C) C) =O) [C@H] (OC (C) =O) C) =O) C) [C@@H] (C) C) =O) C[C@@H] (O) C1) N2[C@@H] (C) C=CC2=O
Molecular Formula
C38H63N5O9
Molecular Weight
733.93
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Microcolin H

Microcolin H is a peptide.

CAS Number2408008-21-7
PubChem CID139292112
IUPAC Name[(2R,3S)-4-[[(2S)-1-[(2S,4S)-4-hydroxy-2-[(2S)-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-[[(2S)-4-methyl-2-[methyl-[(2R)-2-methyloctanoyl]amino]pentanoyl]amino]-4-oxobutan-2-yl] acetate
Molecular FormulaC38H63N5O9
Molecular Weight733.9
XLogP4.5
Topological Polar Surface Area174
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count19
Heavy Atom Count52
Formal Charge0
Complexity1330
SMILES
CCCCCC[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)OC(=O)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C[C@H](C[C@H]1C(=O)N2[C@H](C=CC2=O)C)O
InChI
InChI=1S/C38H63N5O9/c1-12-13-14-15-16-24(6)35(48)40(10)29(19-22(2)3)34(47)39-32(26(8)52-27(9)44)37(50)41(11)33(23(4)5)38(51)42-21-28(45)20-30(42)36(49)43-25(7)17-18-31(43)46/h17-18,22-26,28-30,32-33,45H,12-16,19-21H2,1-11H3,(H,39,47)/t24-,25+,26-,28+,29+,30+,32+,33+/m1/s1
InChIKey
VVVUQZUDSPOQAQ-PEYQGHOASA-N
Chemical Structure
2D Structure
2D structure of Microcolin H
CAS: 2408008-21-7
CID: 139292112
Formula: C38H63N5O9
MW: 733.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight733.9
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count19
Exact Mass733.46257860
Monoisotopic Mass733.46257860
Topological Polar Surface Area174 Ų
Heavy Atom Count52
Formal Charge0
Complexity1330
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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