CDA4a
AlkaPlorer ID: AK017358
Synonym: None
IUPAC Name: 3-[(3E,6S,9R,15S,18R,21S,24S,27R,31R)-15,21,24-tris(carboxymethyl)-30-[[(2S)-1,3-dihydroxy-2-[[hydroxy-(3-propyloxiran-2-yl)methylidene]amino]propylidene]amino]-9-(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]butanoic acid
Structure
SMILES: CCCC1OC1C(O)=N[C@@H](CO)C(O)=NC1C(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(O)C(=N)O)C(O)=N[C@@H](C(C)CC(=O)O)C(O)=N/C(=C/C2=CNC3=CC=CC=C23)C(=O)O[C@@H]1C
InChI: InChI=1S/C67H78N14O26/c1-4-9-44-55(107-44)66(104)77-43(27-82)61(99)80-51-29(3)106-67(105)42(20-32-25-70-37-13-8-6-11-35(32)37)76-62(100)50(28(2)18-46(85)86)79-65(103)53(54(93)56(68)94)78-45(84)26-71-57(95)39(21-47(87)88)75-64(102)52(30-14-16-33(83)17-15-30)81-60(98)41(23-49(91)92)73-59(97)40(22-48(89)90)72-58(96)38(74-63(51)101)19-31-24-69-36-12-7-5-10-34(31)36/h5-8,10-17,20,24-25,28-29,38-41,43-44,50-55,69-70,82-83,93H,4,9,18-19,21-23,26-27H2,1-3H3,(H2,68,94)(H,71,95)(H,72,96)(H,73,97)(H,74,101)(H,75,102)(H,76,100)(H,77,104)(H,78,84)(H,79,103)(H,80,99)(H,81,98)(H,85,86)(H,87,88)(H,89,90)(H,91,92)/b42-20+/t28?,29-,38-,39+,40+,41+,43+,44?,50+,51?,52-,53-,54?,55?/m1/s1
InChIKey: NQOKDPHJXPKXGQ-IANLQVDISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces coelicolor | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1495.4330000000004
TPSA？: 682.8700000000003
MolLogP？: 5.086170000000016
Number of H-Donors: 22
Number of H-Acceptors: 22
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|