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CHEBI:212417 - 35-O-beta-D-Galacturonopyranosyl-2-methyl-32,33,34,35-bacteriohopanetetrol

ChEBI IDCHEBI:212417
ChEBI Name35-O-beta-D-Galacturonopyranosyl-2-methyl-32,33,34,35-bacteriohopanetetrol
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)CC[C@H]([C@@H](C)CC[C@@H](O)[C@@H](O)[C@@H](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-GCZDOJFISA-N
Species of MetaboliteComponentSourceComments
Synechococcus (ncbitaxon:1129) - PubMed (8944776)
ChEBI Ontology
Outgoing Relation(s)
35-O-beta-D-Galacturonopyranosyl-2-methyl-32,33,34,35-bacteriohopanetetrol (CHEBI:212417) is a hopanoid (CHEBI:51963)
IUPAC Name 
(2S,3R,4S,5R,6R)-6-[(2S,3R,4R,7S)-7-[(3R,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