Muraminomicin E2
AlkaPlorer ID: AK122398
Synonym: None
IUPAC Name: 2-[[(2S,4S,5R)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]oxy-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-6-[(Z)-3-[5-[4-(3-carboxypropanoyloxy)-6-ethyl-3,5-dimethoxyoxan-2-yl]oxy-3-methyl-5-oxopentanoyl]oxypentadec-7-enoyl]oxy-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid
Structure
SMILES: CCCCCCC/C=C\CCCC(CC(=O)OC1CN(C)C(C(O[C@H]2C[C@H](O)[C@@H](CN)O2)[C@H]2O[C@@H](N3C=CC(O)=NC3=O)C[C@@H]2O)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)OC1OC(CC)C(OC)C(OC(=O)CCC(=O)O)C1OC
InChI: InChI=1S/C56H87N5O23/c1-8-10-11-12-13-14-15-16-17-18-19-32(77-42(68)24-31(3)25-43(69)83-55-52(76-7)51(49(75-6)35(9-2)80-55)82-41(67)21-20-40(65)66)26-44(70)78-37-30-59(4)47(53(71)60(5)46(37)54(72)73)50(84-45-28-33(62)36(29-57)79-45)48-34(63)27-39(81-48)61-23-22-38(64)58-56(61)74/h15-16,22-23,31-37,39,45-52,55,62-63H,8-14,17-21,24-30,57H2,1-7H3,(H,65,66)(H,72,73)(H,58,64,74)/b16-15-/t31?,32?,33-,34-,35?,36+,37?,39+,45-,46?,47?,48-,49?,50?,51?,52?,55?/m0/s1
InChIKey: FXULNNBFDDQMJX-DIGPZBIYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptosporangium sp. | Streptosporangium | Streptosporangiaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1198.324
TPSA？: 380.33
MolLogP？: 1.8444000000000136
Number of H-Donors: 6
Number of H-Acceptors: 25
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|