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CHEBI:183133 - 32,35-anhydrobacteriohopaneterol

ChEBI IDCHEBI:183133
ChEBI Name32,35-anhydrobacteriohopaneterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H60O3
Net Charge0
Average Mass528.862
Monoisotopic Mass528.45425
SMILESC[C@@H](CCC1OC[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/C35H60O3/c1-22(9-10-26-30(37)25(36)21-38-26)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,36-37H,8-21H2,1-7H3/t22-,23?,24?,25-,26?,27?,28?,29?,30-,32-,33-,34+,35+/m0/s1
InChIKeyAHIYJXIRRHDLAB-PAJINBBCSA-N
Species of MetaboliteComponentSourceComments
Trypanosoma brucei (ncbitaxon:5691) cell culture (BTO:0000214) MetaboLights (MTBLS2559)
ChEBI Ontology
Outgoing Relation(s)
32,35-anhydrobacteriohopaneterol (CHEBI:183133) is a hopanoid (CHEBI:51963)
IUPAC Name 
(3S,4S)-2-[(3S)-3-[(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]butyl]oxolane-3,4-diol
Manual XrefsDatabases
24823187ChemSpider
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