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Compounds

COMPOUND NPA012814

STRUCTURE
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PROPERTIES
NPAID NPA012814
CLUSTER ID 514
NODE ID 460
NAME Trichoderin A
FORMULA C60H110N10O12
MOLECULAR WEIGHT (Da) 1163.5980
ACCURATE MASS (Da) 1162.8305
ORIGIN ORGANISM TYPE Fungus
ORIGIN GENUS Trichoderma
ORIGIN SPECIES sp.
InChIKey RGISVIXWCPPDKV-GOZWVCAKSA-N
InChI InChI=1S/C60H110N10O12/c1-19-22-23-24-25-26-28-40(8)52(78)70-30-27-29-45(70)49(75)62-44(34-38(6)33-43(73)35-42(72)21-3)48(74)65-59(14,15)55(81)68-58(12,13)54(80)64-47(39(7)20-2)50(76)63-46(37(4)5)51(77)66-60(16,17)56(82)67-57(10,11)53(79)61-41(9)36-69(18)31-32-71/h37-41,43-47,71,73H,19-36H2,1-18H3,(H,61,79)(H,62,75)(H,63,76)(H,64,80)(H,65,74)(H,66,77)(H,67,82)(H,68,81)/t38-,39+,40-,41+,43-,44+,45+,46+,47+/m1/s1
SMILES CCCCCCCC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C[C@H](C)C[C@@H](O)CC(=O)CC)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C)CN(C)CCO)C(C)C)[C@@H](C)CC
ORIGINAL ISOLATION REFERENCE
CITATION Pruksakorn, Patamaporn; Arai, Masayoshi; Kotoku, Naoyuki; Vilchèze, Catherine; Baughn, Anthony D; Moodley, Prashini; Jacobs, William R; Kobayashi, Motomasa Trichoderins, novel aminolipopeptides from a marine sponge-derived Trichoderma sp., are active against dormant mycobacteria Bioorganic and Medicinal Chemistry Letters 2010 20 (12) 3658-3663.
DOI 10.1016/j.bmcl.2010.04.100 PMID 20483615
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Eukarya - 2759
Kingdom Fungi MycoBank 4751
Phylum Ascomycota MycoBank 4890
Class Sordariomycetes MycoBank 147550
Order Hypocreales MycoBank 5125
Family Hypocreaceae MycoBank 5129
Genus Trichoderma MycoBank 5543
SYNTHESES
CITATION 1 Kavianinia I; Kunalingam L; Harris PW; Cook GM; Brimble MA Total Synthesis and Stereochemical Revision of the Anti-Tuberculosis Peptaibol Trichoderin A. Organic Letters 2016 18 (15) 3878-81. DOI: 10.1021/acs.orglett.6b01886 PMID: 27467118
REVISIONS
VERSION SMILES CITATION
Original Isolation CCCCCCCC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C[C@H](C)C[C@@H](CC(=O)CC)O)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C)CN(C)CCO Pruksakorn, Patamaporn; Arai, Masayoshi; Kotoku, Naoyuki; Vilchèze, Catherine; Baughn, Anthony D; Moodley, Prashini; Jacobs, William R; Kobayashi, Motomasa Trichoderins, novel aminolipopeptides from a marine sponge-derived Trichoderma sp., are active against dormant mycobacteria Bioorganic and Medicinal Chemistry Letters 2010 20 (12) 3658-3663. DOI: 10.1016/j.bmcl.2010.04.100 PMID: 20483615
2 CCCCCCCC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C[C@H](C)C[C@@H](O)CC(=O)CC)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C)CN(C)CCO)C(C)C)[C@@H](C)CC Kavianinia I; Kunalingam L; Harris PW; Cook GM; Brimble MA Total Synthesis and Stereochemical Revision of the Anti-Tuberculosis Peptaibol Trichoderin A. Organic Letters 2016 18 (15) 3878-81. DOI: 10.1021/acs.orglett.6b01886 PMID: 27467118
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