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CHEBI:199313 - 5-[7-[(3R,5aR,5bR,9S,11aS,13bS)-5a,5b,8,8,9,10,11a,13b-octamethyl-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:199313
ChEBI Name5-[7-[(3R,5aR,5bR,9S,11aS,13bS)-5a,5b,8,8,9,10,11a,13b-octamethyl-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
FormulaC44H77NO8
Net Charge0
Average Mass748.099
Monoisotopic Mass747.56492
SMILESCC(CC(C)[C@H]1CC[C@@]2(C)C1CC[C@]1(C)C2C=CC2[C@@]3(C)CC(C)[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/C44H77NO8/c1-23(19-24(2)34(48)35(49)29(47)21-53-38-33(45)36(50)37(51)44(38,52)22-46)27-13-16-40(7)28(27)14-17-42(9)31(40)11-12-32-41(8)20-25(3)26(4)39(5,6)30(41)15-18-43(32,42)10/h11-12,23-38,46-52H,13-22,45H2,1-10H3/t23?,24?,25?,26-,27+,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,40-,41-,42+,43+,44?/m0/s1
InChIKeyICVMHEYNHYJMDK-FYXVWVBMSA-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,8,8,9,10,11a,13b-octamethyl-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:199313) is a hopanoid (CHEBI:51963)
IUPAC Name 
5-[7-[(3R,5aR,5bR,9S,11aS,13bS)-5a,5b,8,8,9,10,11a,13b-octamethyl-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
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78445037ChemSpider