Antibiotic MM 49721
AlkaPlorer ID: AK053586
Synonym: 'Antiobiotic MM 49721', 'MM 49721'
IUPAC Name: (1R,2S,18S,19R,22S,25R,28S,40S)-2-[(2R,4R,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-48-[(2S,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-18,32,35,37-tetrahydroxy-19-[[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3(50),4,6(49),8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37-pentadecaene-40-carboxylic acid
Structure
SMILES: CN[C@@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@@H]3C(=O)N[C@@H](C(=O)N[C@H](C(=O)O)C4=CC(O)=CC(O)=C4C4=CC3=CC=C4O)[C@@H](O[C@H]3C[C@@](C)(N)[C@@H](O)[C@H](C)O3)C3=CC=C(C=C3)OC3=CC2=CC(=C3O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)OC2=CC=C(C=C2)[C@@H]1O
InChI: InChI=1S/C72H87N9O28/c1-26(2)17-38(75-6)63(94)80-51-54(88)29-7-12-34(13-8-29)104-42-19-32-20-43(60(42)108-71-61(57(91)55(89)44(25-82)106-71)109-70-58(92)56(90)53(87)27(3)103-70)105-35-14-9-30(10-15-35)59(107-46-24-72(5,74)62(93)28(4)102-46)52-68(99)79-50(69(100)101)37-21-33(83)22-41(85)47(37)36-18-31(11-16-40(36)84)48(65(96)81-52)78-66(97)49(32)77-64(95)39(23-45(73)86)76-67(51)98/h7-16,18-22,26-28,38-39,44,46,48-59,61-62,70-71,75,82-85,87-93H,17,23-25,74H2,1-6H3,(H2,73,86)(H,76,98)(H,77,95)(H,78,97)(H,79,99)(H,80,94)(H,81,96)(H,100,101)/t27-,28-,38-,39-,44-,46-,48-,49+,50-,51+,52+,53+,54-,55-,56-,57+,58-,59-,61-,62-,70-,71-,72+/m0/s1
InChIKey: APHXQKPMYQJNNO-UUVGAWAQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amycolatopsis orientalis | Amycolatopsis | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1526.5230000000006
TPSA？: 589.4100000000003
MolLogP？: -2.348800000000011
Number of H-Donors: 21
Number of H-Acceptors: 29
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|