Trichorzianine B
-
Formula: C91H148N22O25
-
Molecular weight: 1950.30
-
Smiles: CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)CO)NC(=O)C(C)(C)NC(=O)C(C(C)C)NC(=O)C3CCCN3C(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C
-
Type: Peptide (Peptaibol)
Trichorzianine B
Names
-
Mycotoxin name: Trichorzianine B
-
First synonym: None
-
Synonyms: Trichorzianine B,112959-01-0,(S)-2-De-L-proline-3-L-alanine-6-(2-methylalanine)-9-(2-methylalanine)-11-L-serine-17-L-isoleucine-18-L-glutamine-19-(N-(2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl)-L-alpha-glutamine)alamethian I,Alamethian I, 2-de-L-proline-3-L-alanine-6-(2-methylalanine)-9-(2-methylalanine)-11-L-serine-17-L-isoleucine-18-L-glutamine-19-(N-(2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl)-L-alpha-glutamine)-, (S)-
Identifiers / External links
-
CAS: 112959-01-0
-
PubChem CID: 16131163
Structure
-
Smiles: CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)CO)NC(=O)C(C)(C)NC(=O)C(C(C)C)NC(=O)C3CCCN3C(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C
-
Isomeric smiles: CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)CO)NC(=O)C(C)(C)NC(=O)C(C(C)C)NC(=O)C3CCCN3C(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C
-
Inchi: InChI=1S/C91H148N22O25/c1-26-47(6)65(74(129)99-55(33-36-61(92)117)69(124)98-56(35-38-63(119)120)68(123)97-52(43-114)41-51-42-94-54-31-28-27-30-53(51)54)104-79(134)85(12,13)109-75(130)64(46(4)5)103-73(128)60-32-29-39-113(60)83(138)91(24,25)108-72(127)58(40-45(2)3)100-70(125)59(44-115)102-78(133)87(16,17)111-82(137)90(22,23)112-81(136)89(20,21)107-71(126)57(34-37-62(93)118)101-77(132)86(14,15)110-80(135)88(18,19)106-67(122)49(8)95-66(121)48(7)96-76(131)84(10,11)105-50(9)116/h27-28,30-31,42,45-49,52,55-60,64-65,94,114-115H,26,29,32-41,43-44H2,1-25H3,(H2,92,117)(H2,93,118)(H,95,121)(H,96,131)(H,97,123)(H,98,124)(H,99,129)(H,100,125)(H,101,132)(H,102,133)(H,103,128)(H,104,134)(H,105,116)(H,106,122)(H,107,126)(H,108,127)(H,109,130)(H,110,135)(H,111,137)(H,112,136)(H,119,120)
-
Inchikey: MTJOXVIDHVPJAI-UHFFFAOYSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C91H148N22O25
-
Molecular weight: 1950.30
-
Monoisotopic mass: 1949.0985983
Select an endpoint:
| Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
|---|
Select an endpoint:
| Category | Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
|---|
Select an endpoint:
| Category | Sub category | Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
|---|
Select an endpoint:
| Endpoint | Tool | Value | Unit | Comments | Reference |
|---|
Fungi
-
Fungi id Species 1149 Trichoderma harzianum