Chetracin A

Formula: C30H28N6O8S8
Molecular weight: 857.10
Smiles: CN1C(=O)C23C(C4(C(N2C(=O)C1(SSSS3)CO)NC5=CC=CC=C54)C67C(C89C(=O)N(C(C(=O)N8C6NC1=CC=CC=C71)(SSSS9)CO)C)O)O
Type: Epipolythiopiperazine-3,6-dione

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Chetracin A

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Chetracin A
First synonym: None
Synonyms: Chetracin A,(1S,2S,11R,14S)-2-hydroxy-3-((1S,2S,3S,11R,14S)-2-hydroxy-14-(hydroxymethyl)-20-methyl-13,19-dioxo-15,16,17,18-tetrathia-10,12,20-triazapentacyclo(12.4.2.01,12.03,11.04,9)icosa-4,6,8-trien-3-yl)-14-(hydroxymethyl)-20-methyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo(12.4.2.01,12.03,11.04,9)icosa-4,6,8-triene-13,19-dione,(1S,2S,11R,14S)-2-hydroxy-3-[(1S,2S,3S,11R,14S)-2-hydroxy-14-(hydroxymethyl)-20-methyl-13,19-dioxo-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.01,12.03,11.04,9]icosa-4,6,8-trien-3-yl]-14-(hydroxymethyl)-20-methyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.01,12.03,11.04,9]icosa-4,6,8-triene-13,19-dione

Smiles: CN1C(=O)C23C(C4(C(N2C(=O)C1(SSSS3)CO)NC5=CC=CC=C54)C67C(C89C(=O)N(C(C(=O)N8C6NC1=CC=CC=C71)(SSSS9)CO)C)O)O
Isomeric smiles: CN1C(=O)[C@@]23[C@H]([C@]4([C@@H](N2C(=O)[C@@]1(SSSS3)CO)NC5=CC=CC=C54)C67[C@@H]([C@]89C(=O)N([C@](C(=O)N8[C@H]6NC1=CC=CC=C71)(SSSS9)CO)C)O)O
Inchi: InChI=1S/C30H28N6O8S8/c1-33-23(43)29-17(39)27(13-7-3-5-9-15(13)31-19(27)35(29)21(41)25(33,11-37)45-49-51-47-29)28-14-8-4-6-10-16(14)32-20(28)36-22(42)26(12-38)34(2)24(44)30(36,18(28)40)48-52-50-46-26/h3-10,17-20,31-32,37-40H,11-12H2,1-2H3/t17-,18-,19+,20+,25-,26-,27+,28?,29-,30-/m0/s1
Inchikey: KYDKJZAJSURFEG-LTEJGUQOSA-N

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