Compounds
ID | Spectrum Quality | Annotated Name |
---|---|---|
CCMSLIB00005435719 | Bronze | Leucinostatin&A&M+H |
CCMSLIB00005435705 | Bronze | Leucinostatin&A&reference&standard |
CCMSLIB00000577505 | Gold | 3 |
CCMSLIB00005777307 | Gold | 3 |
CCMSLIB00005777309 | Gold | 3 |
CCMSLIB00005777274 | Gold | 3 |
CCMSLIB00012119927 | Gold | 4 |
CCMSLIB00012119929 | Gold | 4 |
CCMSLIB00012119930 | Gold | 4 |
CCMSLIB00012119931 | Gold | 4 |
CCMSLIB00012119932 | Gold | 4 |
CCMSLIB00012119928 | Gold | 4 |
CCMSLIB00012119934 | Gold | 4 |
CCMSLIB00012119933 | Gold | 4 |
CCMSLIB00009959724 | Gold | 4 |
CCMSLIB00009959726 | Gold | 4 |
CCMSLIB00009959727 | Gold | 4 |
CCMSLIB00009959728 | Gold | 4 |
CCMSLIB00009959729 | Gold | 4 |
CCMSLIB00009959725 | Gold | 4 |
CCMSLIB00009959731 | Gold | 4 |
CCMSLIB00009959730 | Gold | 4 |
COMPOUND NPA020029
PROPERTIES
NPAID | NPA020029 |
---|---|
CLUSTER ID | 6377 |
NODE ID | 141 |
NAME | Leucinostatin |
FORMULA | C62H111N11O13 |
MOLECULAR WEIGHT (Da) | 1218.6340 |
ACCURATE MASS (Da) | 1217.8363 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Penicillium |
ORIGIN SPECIES | lilacinum |
InChIKey | FOAIGCPESMNWQP-FGFJWYLSSA-N |
InChI | InChI=1S/C62H111N11O13/c1-21-38(9)23-24-49(77)73-33-40(11)31-47(73)55(82)66-46(30-39(10)29-43(75)32-42(74)22-2)53(80)68-50(51(78)37(7)8)56(83)70-61(15,16)58(85)67-44(27-35(3)4)52(79)65-45(28-36(5)6)54(81)69-62(17,18)59(86)71-60(13,14)57(84)63-26-25-48(76)64-41(12)34-72(19)20/h23-24,35-41,43-47,50-51,75,78H,21-22,25-34H2,1-20H3,(H,63,84)(H,64,76)(H,65,79)(H,66,82)(H,67,85)(H,68,80)(H,69,81)(H,70,83)(H,71,86)/b24-23+/t38-,39+,40-,41-,43+,44-,45-,46-,47-,50-,51+/m0/s1 |
SMILES | CCC(=O)C[C@H](O)C[C@@H](C)C[C@H](NC(=O)[C@@H]1C[C@H](C)CN1C(=O)/C=C/[C@@H](C)CC)C(=O)N[C@H](C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)CN(C)C)[C@H](O)C(C)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Arai T; Mikami Y; Fukushima K; Utsumi T; Yazawa K A new antibiotic, leucinostatin, derived from Penicillium lilacinum Journal of Antibiotics 1973 26 (3) 157-61. | ||
---|---|---|---|
DOI | 10.7164/antibiotics.26.157 | PMID | 4783199 |
REVISIONS
VERSION | SMILES | CITATION | ||
---|---|---|---|---|
Original Isolation | CC[C@@H](C)/C=C/C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](C[C@H](C)CC(CC(=O)CC)O)C(=O)N[C@@H]([C@@H](C(C)C)O)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)CN(C)C)C | Arai T; Mikami Y; Fukushima K; Utsumi T; Yazawa K A new antibiotic, leucinostatin, derived from Penicillium lilacinum Journal of Antibiotics 1973 26 (3) 157-61. DOI: 10.7164/antibiotics.26.157 PMID: 4783199 | ||
2 | CCC(=O)C[C@H](O)C[C@@H](C)C[C@H](NC(=O)[C@@H]1C[C@H](C)CN1C(=O)/C=C/[C@@H](C)CC)C(=O)N[C@H](C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)CN(C)C)[C@H](O)C(C)C | Abe, Hikaru; Ouchi, Hitoshi; Sakashita, Chiharu; Kawada, Manabu; Watanabe, Takumi; Shibasaki, Masakatsu Catalytic Asymmetric Total Synthesis and Stereochemical Revision of Leucinostatin A: A Modulator of Tumor-Stroma Interaction. Chemistry - A European Journal 2017 23 (49) 11792-11796. DOI: 10.1002/chem.201703239 PMID: 28703358 |