CDA3a
AlkaPlorer ID: AK044959
Synonym: None
IUPAC Name: 3-[(3Z,6S,9R,15S,18R,21S,24S,27R,30S,31R)-15,21,24-tris(carboxymethyl)-30-[[(2S)-1,3-dihydroxy-2-[[hydroxy-(3-propyloxiran-2-yl)methylidene]amino]propylidene]amino]-9-[(1S)-1,2-dihydroxy-2-iminoethyl]-5,8,11,14,17,20,23,26,29-nonahydroxy-18-(4-hydroxyphenyl)-27-(1H-indol-3-ylmethyl)-3-(1H-indol-3-ylmethylidene)-31-methyl-2-oxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriaconta-4,7,10,13,16,19,22,25,28-nonaen-6-yl]propanoic acid
Structure
SMILES: CCCC1OC1C(O)=N[C@@H](CO)C(O)=N[C@@H]1C(O)=N[C@H](CC2=CNC3=CC=CC=C23)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@H](C2=CC=C(O)C=C2)C(O)=N[C@@H](CC(=O)O)C(O)=NCC(O)=N[C@H]([C@H](O)C(=N)O)C(O)=N[C@@H](CCC(=O)O)C(O)=N/C(=C\C2=CNC3=CC=CC=C23)C(=O)O[C@@H]1C
InChI: InChI=1S/C66H76N14O26/c1-3-8-44-54(106-44)65(103)77-43(27-81)61(99)79-50-28(2)105-66(104)42(20-31-25-69-36-12-7-5-10-34(31)36)76-57(95)37(17-18-46(84)85)71-64(102)52(53(92)55(67)93)78-45(83)26-70-56(94)39(21-47(86)87)75-63(101)51(29-13-15-32(82)16-14-29)80-60(98)41(23-49(90)91)73-59(97)40(22-48(88)89)72-58(96)38(74-62(50)100)19-30-24-68-35-11-6-4-9-33(30)35/h4-7,9-16,20,24-25,28,37-41,43-44,50-54,68-69,81-82,92H,3,8,17-19,21-23,26-27H2,1-2H3,(H2,67,93)(H,70,94)(H,71,102)(H,72,96)(H,73,97)(H,74,100)(H,75,101)(H,76,95)(H,77,103)(H,78,83)(H,79,99)(H,80,98)(H,84,85)(H,86,87)(H,88,89)(H,90,91)/b42-20-/t28-,37+,38-,39+,40+,41+,43+,44?,50+,51-,52-,53+,54?/m1/s1
InChIKey: SLGCKWXDQZMUCF-SSNLTMHJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces coelicolor | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1481.4060000000006
TPSA？: 682.8700000000003
MolLogP？: 4.840170000000016
Number of H-Donors: 22
Number of H-Acceptors: 22
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|