None
AlkaPlorer ID: AK323586
Synonym: None
IUPAC Name: (2R,3R,4E,6S,7R,9S,10R,11S,14S,15R,18R,19S,21R,23S,25S,27R,28S,29R,30E,32E,34S,35R,36S,38S,42E)-3,7,9,11,15,17,18,19,21,23,25,27,29,35-tetradecahydroxy-2,6,10,14,28,34,36,38-octamethyl-46-[(N'-methylcarbamimidoyl)amino]hexatetraconta-4,30,32,42-tetraenoic acid
Structure
SMILES: CNC(=N)NCCC/C=C/CCC[C@H](C)C[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C/[C@@H](O)[C@@H](C)[C@H](O)C[C@@H](O)C[C@H](O)C[C@@H](O)C[C@H](O)[C@@H](O)C(O)C[C@@H](O)[C@@H](C)CC[C@H](O)[C@@H](C)[C@@H](O)C[C@@H](O)[C@@H](C)/C=C/[C@@H](O)[C@@H](C)C(=O)O
InChI: InChI=1S/C56H105N3O16/c1-33(18-14-12-10-11-13-17-25-59-56(57)58-9)26-37(5)53(72)36(4)19-15-16-20-44(63)38(6)49(68)29-42(61)27-41(60)28-43(62)30-51(70)54(73)52(71)32-48(67)35(3)21-23-45(64)39(7)50(69)31-47(66)34(2)22-24-46(65)40(8)55(74)75/h10-11,15-16,19-20,22,24,33-54,60-73H,12-14,17-18,21,23,25-32H2,1-9H3,(H,74,75)(H3,57,58,59)/b11-10+,19-15+,20-16+,24-22+/t33-,34-,35-,36-,37-,38+,39+,40+,41-,42-,43+,44+,45-,46+,47+,48+,49+,50-,51-,52?,53-,54+/m0/s1
InChIKey: QLSAIQUAAZCVQF-YZGLEVBQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. IMB7-145 | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1076.4610000000002
TPSA？: 368.43
MolLogP？: 2.642370000000005
Number of H-Donors: 18
Number of H-Acceptors: 16
RingCount: 0