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CHEBI:205337 - Bacteriohop-6-enetetrol carbapseudopentose ether

ChEBI IDCHEBI:205337
ChEBI NameBacteriohop-6-enetetrol carbapseudopentose ether
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H71NO8
Net Charge0
Average Mass706.018
Monoisotopic Mass705.51797
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)C3C=C[C@]21C
InChIInChI=1S/C41H71NO8/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/h15,20,23-35,43-49H,8-14,16-19,21-22,42H2,1-7H3/t23?,24-,25?,26-,27+,28?,29?,30?,31-,32-,33-,34+,35?,37+,38+,39-,40-,41+/m1/s1
InChIKeyXHSSMWRWGCTRFX-WHFOOSDBSA-N
Species of MetaboliteComponentSourceComments
Burkholderia cepacia (ncbitaxon:292) - DOI (10.1016/s0378-1097(00)00006-9)
ChEBI Ontology
Outgoing Relation(s)
Bacteriohop-6-enetetrol carbapseudopentose ether (CHEBI:205337) is a hopanoid (CHEBI:51963)
IUPAC Name 
(1S,2S,3R,4R)-5-[(2S,3R,4R)-7-[(3R,5aR,5bR,11aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxyoctoxy]-4-amino-1-(hydroxymethyl)cyclopentane-1,2,3-triol
Manual XrefsDatabases
78445146ChemSpider