35-Amino-3-methyl-30,31,32,33,34-bacteriohopanepentol; (3β,22ξ,30ξ,31ξ,32ξ,33ξ,34ξ)-form, 11,12-Didehydro
AlkaPlorer ID: AK286171
Synonym: 35-Amino-3-methyl-11-bacteriohopene-30,31,32,33,34-pentol
IUPAC Name: 7-(5a,5b,8,8,9,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,13a-tetradecahydrocyclopenta[a]chrysen-3-yl)-1-aminooctane-2,3,4,5,6-pentol
Structure
SMILES: CC(C(O)C(O)C(O)C(O)C(O)CN)C1CCC2(C)C1CCC1(C)C2C=CC2C3(C)CCC(C)C(C)(C)C3CCC21C
InChI: InChI=1S/C36H63NO5/c1-20-11-15-34(6)25(32(20,3)4)14-18-36(8)27(34)10-9-26-33(5)16-12-22(23(33)13-17-35(26,36)7)21(2)28(39)30(41)31(42)29(40)24(38)19-37/h9-10,20-31,38-42H,11-19,37H2,1-8H3
InChIKey: NATYWQKUZWVIEC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Methylocaldum szegediense | Methylocaldum | Methylococcaceae | Methylococcales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 589.9020000000002
TPSA？: 127.17
MolLogP？: 4.899200000000003
Number of H-Donors: 6
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|