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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name N-ornithinyl-35-aminobacteriohopane-32,33,34-triol
ChEBI ID CHEBI:183183
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C40H73N3O4
Net Charge 0
Average Mass 660.041
Monoisotopic Mass 659.56011
InChI InChI=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
InChIKey OGGRAXQKORUETR-WCDIYWTISA-N
SMILES O[C@H](CCC(C1C2[C@@](C3[C@]([C@]4(C([C@@]5(C(CC4)C(CCC5)(C)C)C)CC3)C)(CC2)C)(CC1)C)C)[C@@H](O)[C@@H](O)CNC(=O)[C@@H](N)CCCN
Metabolite of Species Details
Trypanosoma brucei (NCBI:txid5691) Found in cell culture (BTO:0000214). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
24823180 ChemSpider
LMPR04000015 LIPID MAPS
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