HELMINTHOSPORIUM CARBONUM TOXIN I

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H32N4O6
Molecular Weight	436.502
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of HELMINTHOSPORIUM CARBONUM TOXIN I

Structure Search

SMILES

[H][C@]12CCCN1C(=O)[C@]([H])(CCCCCC(=O)[C@@H]3CO3)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC2=O

InChI

InChIKey=GNYCTMYOHGBSBI-SVZOTFJBSA-N

InChI=1S/C21H32N4O6/c1-12-18(27)22-13(2)19(28)24-14(7-4-3-5-9-16(26)17-11-31-17)21(30)25-10-6-8-15(25)20(29)23-12/h12-15,17H,3-11H2,1-2H3,(H,22,27)(H,23,29)(H,24,28)/t12-,13+,14-,15+,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H32N4O6
Molecular Weight	436.502
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Histone deacetylase 23 Target ID: CHEMBL2093865 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26935789	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:29:45 GMT 2023` Edited by `admin` on `Sat Dec 16 11:29:45 GMT 2023`
Record UNII	17NL0QLS6P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HELMINTHOSPORIUM CARBONUM TOXIN I

Common Name

English

CYCLO(L-ALANYL-D-ALANYL-8-OXIRANYL-8-OXO-2-AMINOOCTANOYL-D-PROLYL)

Systematic Name

English

CYCLO(L-ALANYL-D-ALANYL-(.ALPHA.S,2S)-.ALPHA.-AMINO-.ETA.-OXOOXIRANEOCTANOYL-D-PROLYL)

Systematic Name

English

CYCLO(L-ALANYL-D-ALANYL-8-OXIRANYL-8-OXO-L-2-AMINOOCTANOYL-D-PROLYL), (S)-

Systematic Name

English

HC-TOXIN I

Common Name

English

CYCLO(L-ALANYL-D-ALANYL-(2S)-.ETA.-OXO-L-.ALPHA.-AMINOOXIRANEOCTANOYL-D-PROLYL)

Systematic Name

English

PEPTIDE, (XAA-PRO-ALA-ALA)

Common Name

English

TOXIN I (HELMINTHOSPORIUM CARBONUM)

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID001003201