Syringostatin A
AlkaPlorer ID: AK037136
Synonym: None
IUPAC Name: (2R)-2-[(3R,6R,9Z,12R,15R,18S,21R,24S,27R)-21,24-bis(2-aminoethyl)-15-(3-aminopropyl)-3-[(1S)-2-chloro-1-hydroxyethyl]-9-ethylidene-12-[(1S)-1-hydroxyethyl]-18-(2-hydroxyethyl)-27-[[(3S)-3-hydroxytetradecanoyl]amino]-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hydroxyacetic acid
Structure
SMILES: C/C=C1\N=C(O)[C@@H]([C@H](C)O)N=C(O)[C@@H](CCCN)N=C(O)[C@H](CCO)N=C(O)[C@@H](CCN)N=C(O)[C@H](CCN)N=C(O)[C@H](N=C(O)C[C@@H](O)CCCCCCCCCCC)COC(=O)[C@@H]([C@H](O)CCl)N=C(O)[C@@H]([C@@H](O)C(=O)O)N=C1O
InChI: InChI=1S/C50H87ClN12O18/c1-4-6-7-8-9-10-11-12-13-15-28(66)24-36(68)55-34-26-81-50(80)38(35(67)25-51)62-48(77)39(40(69)49(78)79)63-41(70)29(5-2)56-47(76)37(27(3)65)61-45(74)30(16-14-20-52)57-44(73)33(19-23-64)60-43(72)31(17-21-53)58-42(71)32(18-22-54)59-46(34)75/h5,27-28,30-35,37-40,64-67,69H,4,6-26,52-54H2,1-3H3,(H,55,68)(H,56,76)(H,57,73)(H,58,71)(H,59,75)(H,60,72)(H,61,74)(H,62,77)(H,63,70)(H,78,79)/b29-5-/t27-,28-,30+,31+,32-,33-,34+,35+,37+,38+,39+,40+/m0/s1
InChIKey: SOKGGVHELUKAFO-ZWILIRDESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas syringae | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1179.7649999999994
TPSA？: 536.1200000000002
MolLogP？: 1.9211000000000047
Number of H-Donors: 18
Number of H-Acceptors: 20
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|