EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:200914 - Bacteriohopanepentol ether

ChEBI IDCHEBI:200914
ChEBI NameBacteriohopanepentol ether
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H73NO9
Net Charge0
Average Mass724.033
Monoisotopic Mass723.52853
SMILESCC(CC(O)C(O)C(O)C(O)COC1C(N)C(O)C(O)C1(O)CO)[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
InChIInChI=1S/C41H73NO9/c1-22(19-25(44)31(46)32(47)26(45)20-51-35-30(42)33(48)34(49)41(35,50)21-43)23-11-16-37(4)24(23)12-17-39(6)28(37)9-10-29-38(5)15-8-14-36(2,3)27(38)13-18-40(29,39)7/h22-35,43-50H,8-21,42H2,1-7H3/t22?,23-,24+,25?,26?,27-,28-,29+,30?,31?,32?,33?,34?,35?,37+,38+,39-,40-,41?/m1/s1
InChIKeyXEANNUUZOVZDTG-RKHQQARHSA-N
Species of MetaboliteComponentSourceComments
Azotobacter vinelandii (ncbitaxon:354) - DOI (10.1099/00221287-140-10-2749)
ChEBI Ontology
Outgoing Relation(s)
Bacteriohopanepentol ether (CHEBI:200914) is a hopanoid (CHEBI:51963)
IUPAC Name 
7-[(3R,3aS,5aR,5bR,7aR,11aS,11bS,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-[5-amino-2,3,4-trihydroxy-2-(hydroxymethyl)cyclopentyl]oxyoctane-2,3,4,5-tetrol
Manual XrefsDatabases
78445462ChemSpider