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CHEBI:223479 - 35-O-beta-3,5-anhydrogalacturonopyranosylbacteriohopanetetrol

ChEBI IDCHEBI:223479
ChEBI Name35-O-beta-3,5-anhydrogalacturonopyranosylbacteriohopanetetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H68O9
Net Charge0
Average Mass704.986
Monoisotopic Mass704.48633
SMILESC[C@@H](CCC(O)C(O)C(O)CO[C@@H]1OC2C(=O)OC(C1O)[C@H]2O)C1CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]3(C)CCCC(C)(C)C3CC[C@]21C
InChIInChI=1S/C41H68O9/c1-22(9-10-25(42)30(44)26(43)21-48-36-32(46)33-31(45)34(50-36)35(47)49-33)23-13-18-38(4)24(23)14-19-40(6)28(38)11-12-29-39(5)17-8-16-37(2,3)27(39)15-20-41(29,40)7/h22-34,36,42-46H,8-21H2,1-7H3/t22-,23?,24?,25?,26?,27?,28?,29?,30?,31+,32?,33?,34?,36+,38-,39-,40+,41+/m0/s1
InChIKeyOFHDLUANDOUFNS-KIUVIKNJSA-N
Species of MetaboliteComponentSourceComments
Prochlorothrixspecies (ncbitaxon:54309) - PubMed (8944776)
ChEBI Ontology
Outgoing Relation(s)
35-O-beta-3,5-anhydrogalacturonopyranosylbacteriohopanetetrol (CHEBI:223479) is a hopanoid (CHEBI:51963)
IUPAC Name 
(3R,8R)-3-[(7S)-7-[(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]-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-7-one
Manual XrefsDatabases
78445310ChemSpider