Syringopeptin SP508 A
AlkaPlorer ID: AK012259
Synonym: None
IUPAC Name: N-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[(Z)-1-[[(15Z,24S,25S)-6,9-bis(2-aminoethyl)-15-ethylidene-5,8,11,14,17,20,23-heptahydroxy-21-(hydroxymethyl)-3-[(4-hydroxyphenyl)methyl]-12,18,25-trimethyl-2-oxo-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacosa-4,7,10,13,16,19,22-heptaen-24-yl]imino]-1-hydroxybut-2-en-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]-1-[(Z)-2-(1,3-dihydroxydodecylideneamino)but-2-enoyl]pyrrolidine-2-carboximidic acid
Structure
SMILES: C/C=C(\N=C(O)CC(O)CCCCCCCCC)C(=O)N1CCCC1C(O)=NC(C(O)=NC(CC(C)C)C(O)=NC(C)C(O)=NC(C)C(O)=NC(CC(C)C)C(O)=NC(C(O)=NC(C)C(O)=NC(C)C(O)=NC(C(O)=NC(C)C(O)=NC(C)C(O)=N/C(=C\C)C(O)=N[C@@H]1C(O)=NC(CO)C(O)=NC(C)C(O)=N/C(=C\C)C(O)=NC(C)C(O)=NC(CCN)C(O)=NC(CCN)C(O)=NC(CC2=CC=C(O)C=C2)C(=O)O[C@H]1C)C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C104H170N24O27/c1-24-28-29-30-31-32-33-35-67(131)49-78(132)115-70(27-4)103(153)128-45-34-36-77(128)98(148)126-81(55(13)14)101(151)121-73(46-51(5)6)95(145)111-56(15)83(133)108-60(19)89(139)120-74(47-52(7)8)96(146)125-80(54(11)12)100(150)114-58(17)85(135)109-63(22)90(140)124-79(53(9)10)99(149)113-57(16)84(134)107-59(18)86(136)117-69(26-3)92(142)127-82-64(23)155-104(154)75(48-65-37-39-66(130)40-38-65)122-94(144)72(42-44-106)119-93(143)71(41-43-105)118-88(138)62(21)110-91(141)68(25-2)116-87(137)61(20)112-97(147)76(50-129)123-102(82)152/h25-27,37-40,51-64,67,71-77,79-82,129-131H,24,28-36,41-50,105-106H2,1-23H3,(H,107,134)(H,108,133)(H,109,135)(H,110,141)(H,111,145)(H,112,147)(H,113,149)(H,114,150)(H,115,132)(H,116,137)(H,117,136)(H,118,138)(H,119,143)(H,120,139)(H,121,151)(H,122,144)(H,123,152)(H,124,140)(H,125,146)(H,126,148)(H,127,142)/b68-25-,69-26-,70-27-/t56?,57?,58?,59?,60?,61?,62?,63?,64-,67?,71?,72?,73?,74?,75?,76?,77?,79?,80?,81?,82-/m0/s1
InChIKey: HHDQRNAQGXUIRL-ZUVLKGGBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas syringae | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 2188.644999999999
TPSA？: 843.7300000000005
MolLogP？: 14.104699999999982
Number of H-Donors: 26
Number of H-Acceptors: 29
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|