(2S,3R,4R,7S)-1-amino-7-[(1R,2R,5R,6R,9S,10R,13R,14S,19S)-1,2,9,14,18,18-hexamethylpentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-6-yl]octane-2,3,4-triol
AlkaPlorer ID: AK372728
Synonym: None
IUPAC Name: (2S,3R,4R,7S)-7-[(3R,3aS,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]-1-aminooctane-2,3,4-triol
Structure
SMILES: C[C@@H](CC[C@@H](O)[C@@H](O)[C@@H](O)CN)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12
InChI: InChI=1S/C35H63NO3/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,37-39H,8-21,36H2,1-7H3/t22-,23+,24-,25+,26-,27-,28+,29+,30+,32-,33-,34+,35+/m0/s1
InChIKey: DYJIJIUSBPCLMI-NUJFMENSSA-N
Reference
Prokaryotic hopanoids: the biosynthesis of the bacteriohopane skeleton
PubChem CID: 100978430
LOTUS: LTS0143674
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Methylobacterium organophilum | Methylobacterium | Methylobacteriaceae | Hyphomicrobiales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 545.8930000000004
TPSA？: 86.71
MolLogP？: 6.935600000000008
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|