Chem
J-GLOBAL ID：200907048962016319   Nikkaji number：J690.160C

Surfactin

サーファクチン
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： C53H93N7O13
Molecular formula furigana： C53-H93-N7-O13
Molecular weight： 1036.363
InChI： InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36?,37-,38?,39+,40+,41?,42?,46-/m0/s1
InChI key： NJGWOFRZMQRKHT-YPLKSVCJSA-N
SMILES： CC(C)CCCCCCCCCC1CC(=O)N[C@@H](CCC(=O)O)C(=O)NC(CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)NC(CC(=O)O)C(=O)N[C@H](CC(C)C)C(=O)NC(CC(C)C)C(=O)O1
Systematic name  (5)：
  • 2-デアミノ-3-(10-メチルウンデシル)-シクロ[L-Ser*-L-Glu-L-Leu-D-Leu-L-Val-L-Asp-D-Leu-L-Leu-]
  • 2-デアミノ-3-(10-メチルウンデシル)シクロ(L-Ser*-L-Glu-L-Leu-D-Leu-L-Val-L-Asp-D-Leu-L-Leu-)
  • シクロ[L-Asp-D-Leu-L-Leu-[3-(10-メチルウンデシル)-3-ヒドロキシ*プロピオニル-]-L-Glu-L-Leu-D-Leu-L-Val-]
  • 3-[(3S,6R,9S,12S,15R,18S,21S)-9-(カルボキシメチル)-3,6,15,18-テトラキス(2-メチルプロピル)-25-(10-メチルウンデシル)-2,5,8,11,14,17,20,23-オクタオキソ-12-(プロパン-2-イル)-1-オキサ-4,7,10,13,16,19,22-ヘプタアザシクロペンタコサン-21-イル]プロパン酸
  • 3-[(3S,6R,9S,12S,15R,18S,21S)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-(propan-2-yl)-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-21-yl]propanoic acid
Other name (10)：
  • スルファクチン
  • Surfactin
  • 2-Deamino-3-(10-methylundecyl)-cyclo[L-Ser*-L-Glu-L-Leu-D-Leu-L-Val-L-Asp-D-Leu-L-Leu-]
  • サーファクチン
  • 2-Deamino-3-(10-methylundecyl)cyclo(L-Ser*-L-Glu-L-Leu-D-Leu-L-Val-L-Asp-D-Leu-L-Leu-)
Show all
CAS registry number： 24730-31-2
KEGG COMPOUND： C12043
Application (1)：
peptide antibiotics
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