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CHEBI:203116 - 35-O-alpha-Altruronopyranosylbacteriohopanetetrol 2beta-methyl

ChEBI IDCHEBI:203116
ChEBI Name35-O-alpha-Altruronopyranosylbacteriohopanetetrol 2beta-methyl
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H72O10
Net Charge0
Average Mass737.028
Monoisotopic Mass736.51255
SMILESC[C@@H]1CC(C)(C)C2CC[C@]3(C)C(CCC4[C@@]5(C)CCC([C@@H](C)CCC(O)C(O)C(O)CO[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]6O)C5CC[C@]43C)[C@@]2(C)C1
InChIInChI=1S/C42H72O10/c1-22-19-38(3,4)28-15-18-42(8)30(40(28,6)20-22)12-11-29-39(5)16-13-24(25(39)14-17-41(29,42)7)23(2)9-10-26(43)31(45)27(44)21-51-37-34(48)32(46)33(47)35(52-37)36(49)50/h22-35,37,43-48H,9-21H2,1-8H3,(H,49,50)/t22-,23+,24?,25?,26?,27?,28?,29?,30?,31?,32-,33+,34+,35+,37+,39+,40+,41-,42-/m1/s1
InChIKeyJUVWOMZTBBMJEZ-CKTGBMPSSA-N
Species of MetaboliteComponentSourceComments
Prochlorothrixspecies (ncbitaxon:54309) - PubMed (8944776)
ChEBI Ontology
Outgoing Relation(s)
35-O-alpha-Altruronopyranosylbacteriohopanetetrol 2beta-methyl (CHEBI:203116) is a hopanoid (CHEBI:51963)
IUPAC Name 
(2S,3S,4R,5S,6S)-6-[(7S)-7-[(5aR,5bR,10R,11aS,13bS)-5a,5b,8,8,10,11a,13b-heptamethyl-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]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
78445105ChemSpider