Molecule

Aminotrihydroxybacteriohopene

AlkaPlorer ID: AK035867

Synonym: 'aminotrihydroxybacteriohopene', '91683-32-8', 'LMPR04000005'

IUPAC Name: (2S,3R,4R,7S)-7-[(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]-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]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C

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-QGPLHBKUSA-N

Reference

Novel bacterial triterpenoids of the hopane series from Nitrosomonas europaea and their significance for the formation of the C35 bacteriohopane skeleton

PubChem CID: 162877427

LOTUS: LTS0161369

SuperNatural Ⅲ: SN0078799-07

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Nitrosomonas europaea	Nitrosomonas	Nitrosomonadaceae	Nitrosomonadales	Betaproteobacteria	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