32,33,34,35-Bacteriohopanetetrol; (21βH,32R,33R,34S)-form, 35-Deoxy, 35-(tryptophanylamino)
AlkaPlorer ID: AK290107
Synonym: None
IUPAC Name: N-[7-(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)-2,3,4-trihydroxyoctyl]-2-amino-3-(1H-indol-3-yl)propanamide
Structure
SMILES: CC(CCC(O)C(O)C(O)CNC(=O)C(N)CC1=CNC2=CC=CC=C12)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C
InChI: InChI=1S/C46H73N3O4/c1-28(13-14-35(50)40(52)36(51)27-49-41(53)33(47)25-29-26-48-34-12-9-8-11-31(29)34)30-17-22-43(4)32(30)18-23-45(6)38(43)15-16-39-44(5)21-10-20-42(2,3)37(44)19-24-46(39,45)7/h8-9,11-12,26,28,30,32-33,35-40,48,50-52H,10,13-25,27,47H2,1-7H3,(H,49,53)
InChIKey: XTJANJPNCSBRIB-UHFFFAOYSA-N
Reference
CAS: 91683-33-9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhodomicrobium vannielii | Rhodomicrobium | Hyphomicrobiaceae | Hyphomicrobiales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 732.1069999999996
TPSA？: 131.6
MolLogP？: 8.144400000000008
Number of H-Donors: 6
Number of H-Acceptors: 5
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|