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CHEBI:217776 - 5-[7-[(3R,5aR,5bR,9S,11aS,13bS)-5a,5b,8,8,9,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,13a-tetradecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxy-5-methyloctoxy]-4-amino-1-(hydroxymethyl)cyclopentane-1,2,3-triol

ChEBI IDCHEBI:217776
ChEBI Name5-[7-[(3R,5aR,5bR,9S,11aS,13bS)-5a,5b,8,8,9,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,13a-tetradecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxy-5-methyloctoxy]-4-amino-1-(hydroxymethyl)cyclopentane-1,2,3-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H75NO8
Net Charge0
Average Mass734.072
Monoisotopic Mass733.54927
SMILESCC(CC(C)[C@H]1CC[C@@]2(C)C1CC[C@]1(C)C2C=CC2[C@@]3(C)CC[C@H](C)C(C)(C)C3CC[C@]21C)C(O)C(O)C(O)COC1C(N)C(O)C(O)C1(O)CO
InChIInChI=1S/C43H75NO8/c1-23(20-24(2)33(47)34(48)28(46)21-52-37-32(44)35(49)36(50)43(37,51)22-45)26-13-17-39(6)27(26)14-18-41(8)30(39)10-11-31-40(7)16-12-25(3)38(4,5)29(40)15-19-42(31,41)9/h10-11,23-37,45-51H,12-22,44H2,1-9H3/t23?,24?,25-,26+,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,39-,40-,41+,42+,43?/m0/s1
InChIKeyWNPSYLUYXAXQSP-VLYGMAJHSA-N
Species of MetaboliteComponentSourceComments
Komagataeibacter europaeus (ncbitaxon:33995) - PubMed (7957191)
ChEBI Ontology
Outgoing Relation(s)
5-[7-[(3R,5aR,5bR,9S,11aS,13bS)-5a,5b,8,8,9,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,13a-tetradecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxy-5-methyloctoxy]-4-amino-1-(hydroxymethyl)cyclopentane-1,2,3-triol (CHEBI:217776) is a hopanoid (CHEBI:51963)
IUPAC Name 
5-[7-[(3R,5aR,5bR,9S,11aS,13bS)-5a,5b,8,8,9,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,13a-tetradecahydrocyclopenta[a]chrysen-3-yl]-2,3,4-trihydroxy-5-methyloctoxy]-4-amino-1-(hydroxymethyl)cyclopentane-1,2,3-triol
Manual XrefsDatabases
78445359ChemSpider