adenosylhopane
AlkaPlorer ID: AK049436
Synonym: "30-(5'-Adenosyl)hopane", 'adenosylhopene'
IUPAC Name: (2R,3S,4R,5R)-2-[(3S)-3-[(3R,3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]butyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
Structure
SMILES: C[C@@H](CC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C
InChI: InChI=1S/C40H63N5O3/c1-23(9-10-26-31(46)32(47)35(48-26)45-22-44-30-33(41)42-21-43-34(30)45)24-13-18-37(4)25(24)14-19-39(6)28(37)11-12-29-38(5)17-8-16-36(2,3)27(38)15-20-40(29,39)7/h21-29,31-32,35,46-47H,8-20H2,1-7H3,(H2,41,42,43)/t23-,24+,25+,26+,27-,28+,29+,31+,32+,35+,37-,38-,39+,40+/m0/s1
InChIKey: YCIUCIBXUZOYMY-APMOYYBTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nitrosomonas europaea | Nitrosomonas | Nitrosomonadaceae | Nitrosomonadales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 661.9759999999999
TPSA？: 119.31000000000002
MolLogP？: 7.935500000000009
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|