ENDURACIDIN
AlkaPlorer ID: AK003995
Synonym: 'Enduracidin'
IUPAC Name: (3S)-4-[[(3R,6R,9S,15S,18R,21S,24R,27S,33R,42R,45S,48S,49R)-42-(3-aminopropyl)-21-(3-chloro-4-hydroxyphenyl)-15-(3,5-dichloro-4-hydroxyphenyl)-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-pentadecahydroxy-27-[3-[(C-hydroxycarbonimidoyl)amino]propyl]-39-[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl]-18-(hydroxymethyl)-3,33,36,45-tetrakis(4-hydroxyphenyl)-9,24-bis[(2-iminoimidazolidin-4-yl)methyl]-6,49-dimethyl-2-oxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetraconta-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecaen-48-yl]imino]-4-hydroxy-3-[[(2Z,4E)-1-hydroxy-10-methylundeca-2,4-dienylidene]amino]butanoic acid
Structure
SMILES: CC(C)CCCC/C=C/C=C\C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H]1C(O)=N[C@@H](C2=CC=C(O)C=C2)C(O)=N[C@H](CCCN)C(O)=NC([C@@H](C)O)C(O)=NC(C2=CC=C(O)C=C2)C(O)=N[C@H](C2=CC=C(O)C=C2)C(O)=NC([C@H](C)O)C(O)=N[C@@H](CCCNC(=N)O)C(O)=N[C@H](CC2CNC(=N)N2)C(O)=N[C@@H](C2=CC=C(O)C(Cl)=C2)C(O)=N[C@H](CO)C(O)=N[C@@H](C2=CC(Cl)=C(O)C(Cl)=C2)C(O)=NCC(O)=N[C@@H](CC2CNC(=N)N2)C(O)=N[C@H](C)C(O)=N[C@H](C2=CC=C(O)C=C2)C(=O)O[C@@H]1C
InChI: InChI=1S/C107H137Cl3N26O31/c1-49(2)15-11-9-7-8-10-12-18-76(145)122-73(44-78(147)148)94(155)130-81-53(6)167-104(165)87(57-25-34-65(143)35-26-57)136-89(150)50(3)119-92(153)71(42-60-45-117-105(112)120-60)123-77(146)47-116-96(157)86(59-40-67(109)88(149)68(110)41-59)132-95(156)74(48-137)127-101(162)85(58-27-36-75(144)66(108)39-58)131-93(154)72(43-61-46-118-106(113)121-61)126-90(151)70(17-14-38-115-107(114)166)124-97(158)79(51(4)138)129-102(163)83(55-21-30-63(141)31-22-55)135-103(164)84(56-23-32-64(142)33-24-56)133-98(159)80(52(5)139)128-91(152)69(16-13-37-111)125-100(161)82(134-99(81)160)54-19-28-62(140)29-20-54/h8,10,12,18-36,39-41,49-53,60-61,69-74,79-87,137-144,149H,7,9,11,13-17,37-38,42-48,111H2,1-6H3,(H,116,157)(H,119,153)(H,122,145)(H,123,146)(H,124,158)(H,125,161)(H,126,151)(H,127,162)(H,128,152)(H,129,163)(H,130,155)(H,131,154)(H,132,156)(H,133,159)(H,134,160)(H,135,164)(H,136,150)(H,147,148)(H3,112,117,120)(H3,113,118,121)(H3,114,115,166)/b10-8+,18-12-/t50-,51+,52-,53-,60?,61?,69-,70+,71+,72-,73+,74-,79?,80?,81+,82+,83-,84?,85+,86+,87-/m1/s1
InChIKey: RMJTVVGTQVOXMA-IOOXOPPRSA-N
Reference
The enduracidin biosynthetic gene cluster from Streptomyces fungicidicus
PubChem CID: 163191965
LOTUS: LTS0250032
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces fungicidicus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 2389.782999999997
TPSA？: 977.6500000000004
MolLogP？: 11.471110000000008
Number of H-Donors: 37
Number of H-Acceptors: 33
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|