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CHEBI:210761 - Bacteriohopanetetrol carbapseudopentose ether

ChEBI IDCHEBI:210761
ChEBI NameBacteriohopanetetrol carbapseudopentose ether
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H73NO8
Net Charge0
Average Mass708.034
Monoisotopic Mass707.53362
SMILESCC(CC[C@@H](O)[C@@H](O)[C@@H](O)COC1[C@H](N)[C@@H](O)[C@H](O)[C@@]1(O)CO)[C@H]1CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]3(C)CCCC(C)(C)C3CC[C@]21C
InChIInChI=1S/C41H73NO8/c1-23(9-10-26(44)32(46)27(45)21-50-35-31(42)33(47)34(48)41(35,49)22-43)24-13-18-37(4)25(24)14-19-39(6)29(37)11-12-30-38(5)17-8-16-36(2,3)28(38)15-20-40(30,39)7/h23-35,43-49H,8-22,42H2,1-7H3/t23?,24-,25?,26-,27+,28?,29?,30?,31-,32-,33-,34+,35?,37+,38+,39-,40-,41+/m1/s1
InChIKeyAGAUYSZNDYQXOM-WHFOOSDBSA-N
Species of MetaboliteComponentSourceComments
Burkholderia cepacia (ncbitaxon:292) - DOI (10.1016/s0378-1097(00)00006-9)
ChEBI Ontology
Outgoing Relation(s)
Bacteriohopanetetrol carbapseudopentose ether (CHEBI:210761) is a hopanoid (CHEBI:51963)
IUPAC Name 
(1S,2S,3R,4R)-5-[(2S,3R,4R)-7-[(3R,5aR,5bR,11aS,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]-2,3,4-trihydroxyoctoxy]-4-amino-1-(hydroxymethyl)cyclopentane-1,2,3-triol
Manual XrefsDatabases
78445339ChemSpider