BIRD-PRD_000162: Chrysospermin-C

基本情報

• 登録情報: データベース: 生物学的重要分子辞書 (BIRD) / ID: PRD_000162
• 状態: 状態: REF ONLY
• 名称: Chrysospermin-C

BIRD information

• タイプ: Peptaibol / 抗生剤

詳細

• CHRYSOSPERMIN C IS LINEAR PEPTIDE, A MEMBER OF THE PEPTAIBOL FAMILY OF MEMBRANE CHANNEL FORMING PEPTIDES. HERE, CHRYSOSPERMIN C IS REPRESENTED BY THE SEQUENCE (SEQRES)
• CHRYSOSPERMIN C IS A NONADECAMERIC HELICAL PEPTIDE. THE N-TERM IS ACETYLATED (RESIDUE 0)

• ダウンロード: Molecular definition / Chemical definition / Family definition

別称

• CHRYSOSPERMIN-C (SciFinder)

Annotation

• 分子機能: antibacterial and antifungal drug / 情報源: Norine
• 分子機能: intiates the formation of pigment in fungus, such as Phoma destructiva / 情報源: Norine
• 分子機能: Antifungal / 情報源: NovelAntibiotics

由来

• Apiocrea chrysosperma Ap101, NADB: 480286
• Hypomyces chrysospermus (菌類), Norine: NOR00981

External info

• NovelAntibiotics: 480286
• TC DataBase: 1.D.5.1.3
• Norine: NOR00981
• PubChem: 16132327
• CAS: 160791-55-9
• [MESH_Unique_ID] MESH: C096631
• NADB: 480284
• NADB: 480285
• NADB: 480286
• NADB: 480287

Family

Peptaibol

Cephaibol A / Cephaibol B / Cephaibol C / Zervamicin IIB / TRICHOTOXIN A50E / Antiamoebin 1 / Chrysospermin-C / Alamethicin / Trichovirin I-4A / SAMAROSPORIN I

Related structures

• Cephaibol A ethonol solvate undecahydrate, seqres A16 PHE*-AIB-AIB-AIB-AIB-GLY-LEU-IVA-AIB-PRO*-GLN-IVA-PRO*-AIB-PRO-PHE* / CCDC: ETUYOH / PubMed / Reference
• Cephaibol B ethanol solvate hydrate, seqres A16 PHE*-AIB-AIB-AIB-IVA-GLY-LEU-IVA-AIB-PRO*-GLN-IVA-PRO*-AIB-PRO-PHE* / CCDC: ETUYUN / PubMed / Reference
• Cephaibol C ethanol solvate hydrate, seqres A16 PHE*-AIB-AIB-AIB-AIB-GLY-LEU-IVA-AIB-PRO*-GLN-AIB-PRO*-AIB-PRO-PHE* / CCDC: ETUZAU / PubMed / Reference
• Acetyl-leucyl-isoleucyl-glutaminyl-isovalyl-isoleucyl-threonyl-alpha-aminoisobutyryl-leucyl-alpha-aminoisobutyryl-4-hydroxyprolyl-glutaminyl-alpha-aminoisobutyryl-4-hydroxyprolyl-alpha-aminoisobutyryl-prolyl-phenylalaninol decahydrate, (Leucyl)zervamicin decahydrate, seqres A16 LEU*-ILE-GLN-IVA-ILE-THR-AIB-LEU-AIB-PRO*-GLN-AIB-PRO*-AIB-PRO-PHE* / CCDC: KIYPUD / PubMed / Reference
• acetyl-L-tryptophyl-L-alanyl-bis(alpha-aminoisobutyryl)-L-leucyl-alpha-aminoisobutyryl-L-glutaminyl-tris(alpha-aminoisobutyryl)-L-glutaminyl-L-leucyl-alpha-aminoisobutyryl-L-glutaminyl-L-leucinol, Ampullosporin A acetonitrile solvate dihydrate, seqres A15 TRP*-ALA-AIB-AIB-LEU-AIB-GLN-AIB-AIB-AIB-GLN-LEU-AIB-GLN-LEU* / CCDC: BEKZIB / PubMed / Reference
• methyl 1-(N-(N-(benzyloxycarbonyl)-alpha-aminoisobutyryl)-alpha-aminoisobutyryl)-4-hydroxypyrrolidine-2-carboxylate, segment of peptaibol antibiotics (antiamoebins and emericins IIIIV), seqres A3 AIB*-AIB-PRO* / CCDC: ICAJEB / Reference
• N-octanoyl-alpha-aminoisobutyryl-glycyl-leucyl-(2,2,6,6-tetramethylpiperidine-1-oxyl-4-amino-4-carboxyl)-glycyl-glycyl-leucyl-(2,2,6,6-tetramethylpiperidine-1-oxyl-4-amino-4-carboxyl)-glycyl-isoleucyl-leucine methyl ester, Lipopeptaibol, seqres A11 AIB*-GLY-LEU-GLY*-GLY-GLY-LEU-GLY*-GLY-ILE-LEU* / CCDC: HIKKUH / PubMed / Reference
• acetyl-L-leucyl-alpha-aminoisobutyryl-L-leucyl-alpha-aminoisobutyryl-L-phenylalaninol, Peptaibolin, AC-L-LEU-AIB-L-LEU-AIB-L-PHOL, seqres A5 LEU*-AIB-LEU-AIB*-PHE* / CCDC: SUWKEA / Reference
• Antiamoebin I tri-n-octanol clathrate, seqres A16 PHE*-AIB-AIB-AIB-IVA-GLY-LEU-AIB-AIB-PRO*-GLN-IVA-PRO*-AIB-PRO-ALA* / CCDC: FEJQOA / PubMed / Reference
• N-Acetylphenylalanyl-(alpha-aminoisobutyryl)-(alpha-aminoisobutyryl)-(alpha-aminoisobutyryl)-valyl-glycyl-leucyl-(alpha-aminoisobutyryl)-alpha-aminoisobutyric acid benzyl ester trihydrate, Emerimicin-(1-9) benzyl ester seqres A9 PHE*-AIB-AIB-AIB-VAL-GLY-LEU-AIB-AIB* / CCDC: IVIGOJ / PubMed / Reference
• rac-trichogin A IV nonahydrate, bis(octanoyl-L-a-amino-isobutyryl-L-glycyl-L-leucyl-L-a-amino-isobutyryl-L-glycyl-L-glycyl-L-leucyl-L-a-amino-isobutyryl-L-glycyl-L-isoleucyl-leucinol) nonahydrate, seqres A11 AIB*-GLY-LEU-AIB-GLY-GLY-LEU-AIB-GLY-ILE-LEU* / CCDC: MORHUW / Reference
• Trichotoxin A50E acetonitrile solvate hydrate, seqres A17 AIB*-GLY-AIB-LEU-AIB-GLN-AIB-AIB-AIB-ALA-ALA-AIB-PRO-LEU-AIB-AIB-GLN* / CCDC: MAMMEU / Reference
• Trichotoxin A50E acetonitrile solvate hydrate, seqres A17 AIB*-GLY-AIB-LEU-AIB-GLN-AIB-AIB-AIB-ALA-ALA-AIB-PRO-LEU-AIB-AIB-GLN* / CCDC: MAMMEU01 / PubMed / Reference

Chemical information

組成

組成式: C₉₁H₁₄₂N₂₂O₂₃ / 化学式量: 1912.235

• その他: タイプ: peptide-like

履歴

• 外部リンク: UniChem / ChemSpider / Wikipedia search / Google search

詳細

SMILES

• CACTVS 3.370: CC[C](C)(NC(=O)C(C)(C)NC(=O)[CH](CO)NC(=O)C(C)(C)NC(=O)[CH](Cc1ccccc1)NC(C)=O)C(=O)N[CH](CC(C)C)C(=O)N[CH](CCC(N)=O)C(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[CH](C)C(=O)N[CH](C)C(=O)NC(C)(C)C(=O)N2CCC[CH]2C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[CH](CCC(N)=O)C(=O)N[CH](CO)Cc3c[nH]c4ccccc34
• OpenEye OEToolkits 1.7.6: CCC(C)(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(=O)N)C(=O)NC(Cc2c[nH]c3c2cccc3)CO)NC(=O)C(C)(C)NC(=O)C(CO)NC(=O)C(C)(C)NC(=O)C(Cc4ccccc4)NC(=O)C

SMILES CANONICAL

• CACTVS 3.370: CC[C@@](C)(NC(=O)C(C)(C)NC(=O)[C@H](CO)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N2CCC[C@H]2C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CO)Cc3c[nH]c4ccccc34
• OpenEye OEToolkits 1.7.6: CC[C@](C)(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)CO)NC(=O)C(C)(C)NC(=O)[C@H](CO)NC(=O)C(C)(C)NC(=O)[C@H](Cc4ccccc4)NC(=O)C

InChI

• InChI 1.03: InChI=1S/C91H142N22O23/c1-24-91(23,112-80(134)88(17,18)107-72(126)61(47-115)103-75(129)83(7,8)106-71(125)60(98-51(6)116)42-52-31-26-25-27-32-52)81(135)102-59(41-48(2)3)70(124)100-57(36-38-63(92)117)68(122)95-45-65(119)104-86(13,14)77(131)109-84(9,10)74(128)97-49(4)66(120)96-50(5)67(121)105-90(21,22)82(136)113-40-30-35-62(113)73(127)108-87(15,16)78(132)111-89(19,20)79(133)110-85(11,12)76(130)101-58(37-39-64(93)118)69(123)99-54(46-114)43-53-44-94-56-34-29-28-33-55(53)56/h25-29,31-34,44,48-50,54,57-62,94,114-115H,24,30,35-43,45-47H2,1-23H3,(H2,92,117)(H2,93,118)(H,95,122)(H,96,120)(H,97,128)(H,98,116)(H,99,123)(H,100,124)(H,101,130)(H,102,135)(H,103,129)(H,104,119)(H,105,121)(H,106,125)(H,107,126)(H,108,127)(H,109,131)(H,110,133)(H,111,132)(H,112,134)/t49-,50-,54-,57-,58-,59-,60-,61-,62-,91+/m0/s1

InChIKey

• InChI 1.03: LUHAJQGZRAIJDS-VVCGERNOSA-N

SYSTEMATIC NAME

• OpenEye OEToolkits 1.7.6: (2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-2-methyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-2-methyl-propanoyl]amino]-2-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-N-[2-[[1-[[1-[[(2S)-1-[[(2S)-1-[[1-[(2S)-2-[[1-[[1-[[1-[[(2S)-5-azanyl-1-[[(2S)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]pentanediamide #

PDBエントリ

全1件を表示しています

PDB-1ee7:
NMR STRUCTURE OF THE PEPTAIBOL CHRYSOSPERMIN C BOUND TO DPC MICELLES