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CHEBI:226755 - 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]-1-[5-amino-2,3,4-trihydroxy-2-(hydroxymethyl)cyclopentyl]oxyoctane-2,3,4,5-tetrol

ChEBI IDCHEBI:226755
ChEBI Name7-[(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]-1-[5-amino-2,3,4-trihydroxy-2-(hydroxymethyl)cyclopentyl]oxyoctane-2,3,4,5-tetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H73NO9
Net Charge0
Average Mass736.044
Monoisotopic Mass735.52853
SMILESCC(CC(O)C(O)C(O)C(O)COC1C(N)C(O)C(O)C1(O)CO)[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
InChIInChI=1S/C42H73NO9/c1-22(19-26(45)32(47)33(48)27(46)20-52-36-31(43)34(49)35(50)42(36,51)21-44)24-12-16-38(5)25(24)13-17-40(7)29(38)9-10-30-39(6)15-11-23(2)37(3,4)28(39)14-18-41(30,40)8/h9-10,22-36,44-51H,11-21,43H2,1-8H3/t22?,23-,24+,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,38-,39-,40+,41+,42?/m0/s1
InChIKeyXPQQFLOBGARKSQ-ZMCYARIZSA-N
Species of MetaboliteComponentSourceComments
Komagataeibacter europaeus (ncbitaxon:33995) - PubMed (7957191)
ChEBI Ontology
Outgoing Relation(s)
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]-1-[5-amino-2,3,4-trihydroxy-2-(hydroxymethyl)cyclopentyl]oxyoctane-2,3,4,5-tetrol (CHEBI:226755) is a hopanoid (CHEBI:51963)
IUPAC Name 
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]-1-[5-amino-2,3,4-trihydroxy-2-(hydroxymethyl)cyclopentyl]oxyoctane-2,3,4,5-tetrol
Manual XrefsDatabases
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