EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:183183 - N-ornithinyl-35-aminobacteriohopane-32,33,34-triol

Default Structure
ChEBI IDCHEBI:183183
ChEBI NameN-ornithinyl-35-aminobacteriohopane-32,33,34-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H73N3O4
Net Charge0
Average Mass660.041
Monoisotopic Mass659.56011
SMILESCC(CC[C@@H](O)[C@@H](O)[C@@H](O)CNC(=O)[C@@H](N)CCCN)C1CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]3(C)CCCC(C)(C)C3CC[C@]21C
InChIInChI=1S/C40H73N3O4/c1-25(11-12-29(44)34(46)30(45)24-43-35(47)28(42)10-8-23-41)26-15-20-37(4)27(26)16-21-39(6)32(37)13-14-33-38(5)19-9-18-36(2,3)31(38)17-22-40(33,39)7/h25-34,44-46H,8-24,41-42H2,1-7H3,(H,43,47)/t25?,26?,27?,28-,29+,30-,31?,32?,33?,34+,37-,38-,39+,40+/m0/s1
InChIKeyOGGRAXQKORUETR-WCDIYWTISA-N
Species of MetaboliteComponentSourceComments
Trypanosoma brucei (ncbitaxon:5691) cell culture (BTO:0000214) MetaboLights (MTBLS2559)
ChEBI Ontology
Outgoing Relation(s)
N-ornithinyl-35-aminobacteriohopane-32,33,34-triol (CHEBI:183183) is a hopanoid (CHEBI:51963)
IUPAC Name 
(2S)-N-[(2S,3R,4R)-7-[(5aR,5bR,11aS,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]-2,5-diaminopentanamide
Manual XrefsDatabases
24823180ChemSpider
LMPR04000015LIPID MAPS