23-(6-methyl)heptanoic acid demalonylazalomycin F5a ester
AlkaPlorer ID: AK037268
Synonym: None
IUPAC Name: [(1R,3S,5R,7R,9S,15S,30S,31S,33R,34S,35R)-15-[(2S)-10-[(N,N'-dimethylcarbamimidoyl)amino]dec-6-en-2-yl]-5,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl] 6-methylheptanoate
Structure
SMILES: CN=C(NC)NCCCC=CCCC[C@H](C)[C@@H]1OC(=O)C(C)=CC=CC(C)C(O)CC(O)C(C)C(O)CC[C@H](C)[C@@H](O)C[C@@]2(O)O[C@@H](C[C@@H](OC(=O)CCCCC(C)C)C[C@H](O)C[C@@H](O)C[C@H](O)C(C)=CC=CC1C)C[C@@H](O)[C@@H]2O
InChI: InChI=1S/C62H109N3O15/c1-39(2)22-17-18-28-57(74)78-49-33-47(66)32-48(67)34-52(69)40(3)24-20-26-44(7)58(43(6)23-16-14-12-13-15-19-31-65-61(63-10)64-11)79-60(76)45(8)27-21-25-41(4)53(70)37-54(71)46(9)51(68)30-29-42(5)56(73)38-62(77)59(75)55(72)36-50(35-49)80-62/h12-13,20-21,24-27,39,41-44,46-56,58-59,66-73,75,77H,14-19,22-23,28-38H2,1-11H3,(H2,63,64,65)/t41?,42-,43-,44?,46?,47+,48+,49-,50-,51?,52-,53?,54?,55+,56-,58-,59-,62+/m0/s1
InChIKey: BRLHILFTNILTRK-LWQQSTPOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. 211726 | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1136.5599999999995
TPSA？: 300.55
MolLogP？: 6.373400000000012
Number of H-Donors: 12
Number of H-Acceptors: 16
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|