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CHEBI:204553 - (32R,33R,34S)-35-O-phenylacetyl bacteriohopanetetrol

ChEBI IDCHEBI:204553
ChEBI Name(32R,33R,34S)-35-O-phenylacetyl bacteriohopanetetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H68O5
Net Charge0
Average Mass665.012
Monoisotopic Mass664.50668
SMILESC[C@H](CC[C@@H](O)[C@@H](O)[C@@H](O)COC(=O)Cc1ccccc1)[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
InChIInChI=1S/C43H68O5/c1-28(14-15-32(44)38(47)33(45)27-48-37(46)26-29-12-9-8-10-13-29)30-18-23-40(4)31(30)19-24-42(6)35(40)16-17-36-41(5)22-11-21-39(2,3)34(41)20-25-43(36,42)7/h8-10,12-13,28,30-36,38,44-45,47H,11,14-27H2,1-7H3/t28-,30-,31+,32-,33+,34+,35-,36-,38-,40+,41+,42-,43-/m1/s1
InChIKeySKTGBAZAHKIYNS-VZLDPIEXSA-N
Species of MetaboliteComponentSourceComments
Frankiaspecies (ncbitaxon:1855) - PubMed (11488925)
ChEBI Ontology
Outgoing Relation(s)
(32R,33R,34S)-35-O-phenylacetyl bacteriohopanetetrol (CHEBI:204553) 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-trihydroxyoctyl] 2-phenylacetate
Manual XrefsDatabases
78437157ChemSpider