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CHEBI:215298 - (32R,33R,34S)-35-O-propionyl bacteriohopanetetrol acetate

ChEBI IDCHEBI:215298
ChEBI Name(32R,33R,34S)-35-O-propionyl bacteriohopanetetrol acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H72O8
Net Charge0
Average Mass729.052
Monoisotopic Mass728.52272
SMILESCCC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](CC[C@@H](C)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12)OC(C)=O
InChIInChI=1S/C44H72O8/c1-12-38(48)49-26-34(51-29(4)46)39(52-30(5)47)33(50-28(3)45)15-14-27(2)31-18-23-41(8)32(31)19-24-43(10)36(41)16-17-37-42(9)22-13-21-40(6,7)35(42)20-25-44(37,43)11/h27,31-37,39H,12-26H2,1-11H3/t27-,31-,32+,33-,34+,35+,36-,37-,39-,41+,42+,43-,44-/m1/s1
InChIKeyXJYYUOGFRFRJTA-OIIWQIRMSA-N
Species of MetaboliteComponentSourceComments
Frankiaspecies (ncbitaxon:1855) - PubMed (11488925)
ChEBI Ontology
Outgoing Relation(s)
(32R,33R,34S)-35-O-propionyl bacteriohopanetetrol acetate (CHEBI:215298) is a hopanoid (CHEBI:51963)
IUPAC Name 
[(2S,3R,4R,7R)-7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,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-triacetyloxyoctyl] propanoate
Manual XrefsDatabases
78438077ChemSpider