ChEBI

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 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 ChEBI ID CHEBI:226755 Stars This entity has been manually annotated by a third party. Submitter MetaboLights Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C42H73NO9 Net Charge 0 Average Mass 736.044 Monoisotopic Mass 735.52853 InChI InChI=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 InChIKey XPQQFLOBGARKSQ-ZMCYARIZSA-N SMILES O(C1C(O)(C(O)C(C1N)O)CO)CC(O)C(O)C(O)C(O)CC([C@@H]2C3[C@](C4C=CC5[C@@]6(C(C([C@@H](C)CC6)(C)C)CC[C@]5([C@]4(C)CC3)C)C)(C)CC2)C Metabolite of Species Details Komagataeibacter europaeus (NCBI:txid33995) See: PubMed ChEBI Ontology Outgoing 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 Xref Database 78445229 ChemSpider View more database links