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CHEBI:197723 - 35-O-alpha-altruronopyranosylbacteriohopanetetrol

ChEBI IDCHEBI:197723
ChEBI Name35-O-alpha-altruronopyranosylbacteriohopanetetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H70O10
Net Charge0
Average Mass723.001
Monoisotopic Mass722.49690
SMILESC[C@@H](CCC(O)C(O)C(O)CO[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O)C1CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]3(C)CCCC(C)(C)C3CC[C@]21C
InChIInChI=1S/C41H70O10/c1-22(9-10-25(42)30(44)26(43)21-50-36-33(47)31(45)32(46)34(51-36)35(48)49)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/h22-34,36,42-47H,8-21H2,1-7H3,(H,48,49)/t22-,23?,24?,25?,26?,27?,28?,29?,30?,31+,32-,33-,34-,36-,38-,39-,40+,41+/m0/s1
InChIKeySSVGOKCWDNWMHB-DIFGBCKZSA-N
Species of MetaboliteComponentSourceComments
Prochlorothrixspecies (ncbitaxon:54309) - PubMed (8944776)
ChEBI Ontology
Outgoing Relation(s)
35-O-alpha-altruronopyranosylbacteriohopanetetrol (CHEBI:197723) is a hopanoid (CHEBI:51963)
IUPAC Name 
(2S,3S,4R,5S,6S)-6-[(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]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
78445005ChemSpider