Chem
J-GLOBAL ID：200907082101403684   Nikkaji number：J1.136.910C

Fengycin

フェンギシン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C72H110N12O20
Molecular formula furigana： C72-H110-N12-O20
Molecular weight： 1463.736
InChI： InChI=1S/C72H110N12O20/c1-6-8-9-10-11-12-13-14-15-16-17-20-48(87)41-58(89)76-51(32-35-59(90)91)65(96)77-50(21-18-37-73)64(95)80-55-40-46-25-29-49(30-26-46)104-72(103)61(42(3)7-2)82-67(98)54(39-45-23-27-47(86)28-24-45)81-66(97)52(31-34-57(74)88)78-69(100)56-22-19-38-84(56)71(102)43(4)75-63(94)53(33-36-60(92)93)79-70(101)62(44(5)85)83-68(55)99/h23-30,42-44,48,50-56,61-62,85-87H,6-22,31-41,73H2,1-5H3,(H2,74,88)(H,75,94)(H,76,89)(H,77,96)(H,78,100)(H,79,101)(H,80,95)(H,81,97)(H,82,98)(H,83,99)(H,90,91)(H,92,93)/t42-,43+,44+,48?,50+,51-,52-,53-,54+,55-,56-,61-,62+/m0/s1
InChI key： CUOJDWBMJMRDHN-LUZUGCRASA-N
SMILES： CCCCCCCCCCCCCC(O)CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCCN)C(=O)N[C@H]1Cc2ccc(OC(=O)[C@@H](NC(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](NC1=O)[C@@H](C)O)[C@@H](C)CC)cc2
Systematic name  (5)：
  • N-(3-トリデシル-2-デアミノ-Ser-L-Glu-D-Orn-)シクロ(Tyr*-D-aThr-L-Glu-D-Ala-L-Pro-L-Gln-D-Tyr-L-Ile-)
  • N-[N-(3-ヒドロキシヘキサデカノイル)-L-Glu-D-Orn-]シクロ(L-Tyr*-D-aThr-L-Glu-D-Ala-L-Pro-L-Gln-D-Tyr-L-Ile-)
  • N-(3-トリデシル-2-デアミノ-Ser-L-Glu-D-Orn-)シクロ(L-Tyr*-D-aThr-L-Glu-D-Ala-L-Pro-L-Gln-D-Tyr-L-Ile-)
  • (4S)-4-{[(1R)-4-アミノ-1-{[(4S,7R,10S,13S,19R,22S,25R,28S)-4-[(2S)-ブタン-2-イル]-10-(2-カルバモイルエチル)-22-(2-カルボキシエチル)-25-[(1R)-1-ヒドロキシエチル]-7-[(4-ヒドロキシフェニル)メチル]-19-メチル-3,6,9,12,18,21,24,27-オクタオキソ-2-オキサ-5,8,11,17,20,23,26-ヘプタアザトリシクロ[28.2.2.013,17]テトラトリアコンタ-1(32),30,33-トリエン-28-イル]カルバモイル}ブチル]カルバモイル}-4-(3-ヒドロキシヘキサデカンアミド)ブタン酸
  • (4S)-4-{[(1R)-4-amino-1-{[(4S,7R,10S,13S,19R,22S,25R,28S)-4-[(2S)-butan-2-yl]-10-(2-carbamoylethyl)-22-(2-carboxyethyl)-25-[(1R)-1-hydroxyethyl]-7-[(4-hydroxyphenyl)methyl]-19-methyl-3,6,9,12,18,21,24,27-octaoxo-2-oxa-5,8,11,17,20,23,26-heptaazatricyclo[28.2.2.013,17]tetratriaconta-1(32),30,33-trien-28-yl]carbamoyl}butyl]carbamoyl}-4-(3-hydroxyhexadecanamido)butanoic acid
Other name (5)：
  • N-(3-Tridecyl-2-deamino-Ser-L-Glu-D-Orn-)cyclo(Tyr*-D-aThr-L-Glu-D-Ala-L-Pro-L-Gln-D-Tyr-L-Ile-)
  • N-[N-(3-Hydroxyhexadecanoyl)-L-Glu-D-Orn-]cyclo(L-Tyr*-D-aThr-L-Glu-D-Ala-L-Pro-L-Gln-D-Tyr-L-Ile-)
  • Fengycin
  • フェンギシン
  • N-(3-Tridecyl-2-deamino-Ser-L-Glu-D-Orn-)cyclo(L-Tyr*-D-aThr-L-Glu-D-Ala-L-Pro-L-Gln-D-Tyr-L-Ile-)
KEGG COMPOUND： C12042
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