Molecule

(22S,30R,31R,32R,33S,34S)-35-Amino-30,31,32,33,34-bacteriohopanepentol

AlkaPlorer ID: AK327709

Synonym: None

IUPAC Name: (2S,3S,4R,5R,6R)-7-[(3S,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-2,3,4,5,6-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)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12

InChI: InChI=1S/C35H63NO5/c1-20(27(38)29(40)30(41)28(39)23(37)19-36)21-11-16-32(4)22(21)12-17-34(6)25(32)9-10-26-33(5)15-8-14-31(2,3)24(33)13-18-35(26,34)7/h20-30,37-41H,8-19,36H2,1-7H3/t20?,21-,22+,23+,24+,25-,26-,27-,28+,29-,30+,32+,33+,34-,35-/m1/s1

InChIKey: NSCULDDFRWOMLE-JVOSUIESSA-N

Reference

Bacterial triterpenoids of the hopane series from the methanotrophic bacteria<i>Methylocaldum</i>spp.: phylogenetic implications and first evidence for an unsaturated aminobacteriohopanepolyol

PubChem CID: 101111145

{

NPAtlas: NPA031397

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Methylocaldum sp.	Methylocaldum	Methylococcaceae	Methylococcales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 577.8910000000003

TPSA？: 127.17

MolLogP？: 4.877200000000003

Number of H-Donors: 6

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi