(3β,22S,30R,31R,32R,33S,34S)-35-Amino-3-methyl-30,31,32,33,34-bacteriohopanepentol
AlkaPlorer ID: AK327710
Synonym: None
IUPAC Name: (2S,3S,4R,5R,6R)-7-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,9,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-1-aminooctane-2,3,4,5,6-pentol
Structure
SMILES: CC([C@@H](O)[C@@H](O)[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)CCC(C)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12
InChI: InChI=1S/C36H65NO5/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/h20-31,38-42H,9-19,37H2,1-8H3/t20?,21?,22-,23+,24+,25+,26-,27-,28-,29+,30-,31+,33+,34+,35-,36-/m1/s1
InChIKey: NYINOFIIAOPILH-HVGYHSOBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Methylocaldum sp. | Methylocaldum | Methylococcaceae | Methylococcales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 591.9180000000002
TPSA？: 127.17
MolLogP？: 5.123200000000003
Number of H-Donors: 6
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|